data_1p7a_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 1p7a _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 mttt . . . . . 0 N--CA 1.471 0.59 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -66.04 -20.53 57.08 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.256 1.971 . . . . 0.0 111.883 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -123.16 81.21 1.85 Allowed 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.754 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.495 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -103.16 159.54 15.45 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.135 179.244 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.453 ' SG ' ' HB2' ' A' ' 16' ' ' ASP . 44.1 t -74.89 121.2 84.74 Favored Pre-proline 0 C--N 1.327 -0.407 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.262 177.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.43 3.73 5.58 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.725 2.283 . . . . 0.0 112.153 176.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.453 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 0.4 OUTLIER -108.9 -29.39 8.64 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.748 -179.565 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.6 m -117.06 -32.69 4.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.35 -176.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.3 t0 79.93 49.6 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.392 -0.822 . . . . 0.0 108.976 -166.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.495 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 6.6 mmm180 -83.78 -154.83 0.16 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.352 177.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.11 122.59 2.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.164 0.507 . . . . 0.0 111.46 175.034 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -133.77 136.27 44.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.253 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -18.04 52.09 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.362 0.601 . . . . 0.0 109.743 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -118.84 129.13 55.05 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.773 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -29.57 67.0 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.38 -1.282 . . . . 0.0 111.1 177.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.94 -47.48 80.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.805 178.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -64.65 -31.62 72.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.774 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.38 -60.41 3.45 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.755 173.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.568 ' O ' ' HD2' ' A' ' 32' ' ' LYS . . . -56.12 -36.23 67.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.612 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.436 ' O ' ' HB2' ' A' ' 32' ' ' LYS . 68.1 mt -61.42 -42.88 99.44 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.168 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.478 ' HB2' HH21 ' A' ' 19' ' ' ARG . 10.7 t60 -72.41 -36.33 68.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.307 0.575 . . . . 0.0 109.891 176.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.461 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 18.2 mtp-105 -74.67 -2.24 25.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.305 -175.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.568 ' HD2' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -63.46 -26.11 68.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.923 174.336 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -80.78 -7.89 59.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.832 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.461 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 73.4 m-70 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 -178.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.564 ' CD ' ' HB2' ' A' ' 20' ' ' SER . 1.5 mttt . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.28 -20.28 21.41 Favored 'Trans proline' 0 CA--C 1.529 0.266 0 C-N-CA 122.236 1.957 . . . . 0.0 112.403 -176.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -126.5 82.64 2.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.474 -178.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.695 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 1.8 pt20 -113.04 162.63 15.68 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 121.141 -0.224 . . . . 0.0 110.606 -177.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.0 t -75.31 123.08 88.52 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.491 176.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -78.82 -1.63 11.76 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.724 2.283 . . . . 0.0 112.533 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -104.24 -42.57 5.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.208 0.528 . . . . 0.0 110.769 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 61.8 m -96.42 -32.17 12.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.14 -176.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.617 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 0.7 OUTLIER 81.1 43.58 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.981 0.801 . . . . 0.0 109.637 -171.887 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.695 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 3.7 mtm180 -81.01 -158.38 0.2 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.761 -1.108 . . . . 0.0 108.662 173.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.564 ' HB2' ' CD ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -170.09 125.67 0.79 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.962 0.41 . . . . 0.0 111.612 176.761 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -133.4 152.94 51.96 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.26 -17.79 23.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.145 0.497 . . . . 0.0 110.184 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.8 mtp85 -114.44 129.77 56.67 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.47 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -29.04 70.4 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.562 -1.199 . . . . 0.0 110.444 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -43.45 95.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.103 174.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.716 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -62.84 -35.27 79.39 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.913 179.431 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.1 -60.31 3.66 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.145 0.498 . . . . 0.0 109.962 174.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.54 -37.21 67.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.851 -176.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.716 HD12 ' HA ' ' A' ' 26' ' ' HIS . 41.1 mt -54.45 -45.67 73.15 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.857 0.36 . . . . 0.0 110.881 178.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.525 ' HB2' HH21 ' A' ' 19' ' ' ARG . 19.0 t60 -72.6 -39.75 67.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.533 177.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.445 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 19.7 mtp-105 -74.24 -0.93 18.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.773 -173.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -66.79 -26.77 67.11 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.34 -14.22 60.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.525 176.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.445 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 86.6 m-70 . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.741 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.507 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.537 0 CA-C-O 121.67 0.747 . . . . 0.0 112.48 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -60.55 -23.62 75.96 Favored 'Trans proline' 0 CA--C 1.529 0.266 0 C-N-CA 122.193 1.928 . . . . 0.0 112.348 -178.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -131.08 93.52 3.4 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.534 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.66 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -100.0 162.68 12.83 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 177.741 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.624 ' HB2' ' HE1' ' A' ' 30' ' ' HIS . 45.2 t -76.02 128.63 82.71 Favored Pre-proline 0 N--CA 1.449 -0.509 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.012 173.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -78.77 -3.63 13.41 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 121.953 1.769 . . . . 0.0 112.009 174.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.415 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 1.6 m-20 -109.61 -40.07 4.96 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.904 0.383 . . . . 0.0 111.161 -176.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.414 ' HB2' ' HG3' ' A' ' 19' ' ' ARG . 80.4 m -94.28 -32.85 13.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.039 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 77.89 39.18 0.17 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.412 -1.267 . . . . 0.0 108.384 -165.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.66 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 1.3 mtm-85 -78.49 -160.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.485 -1.234 . . . . 0.0 109.774 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.507 ' HB2' ' HB2' ' A' ' 10' ' ' LYS . 1.5 p -165.32 122.38 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.133 0.492 . . . . 0.0 111.615 178.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.437 ' CZ ' ' HD2' ' A' ' 19' ' ' ARG . 52.8 m-85 -134.41 140.58 46.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.308 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.37 -25.21 46.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.342 0.591 . . . . 0.0 109.645 178.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -115.6 132.9 56.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.303 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.63 -26.77 68.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.973 176.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.456 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -61.2 -41.72 97.32 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.74 177.832 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.43 ' HA ' HD12 ' A' ' 29' ' ' LEU . 1.2 m170 -70.4 -35.08 73.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.33 177.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.93 -60.57 3.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.078 175.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.45 -38.65 69.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.992 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 25' ' ' ASP . 69.4 mt -57.69 -49.84 75.17 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 120.839 0.352 . . . . 0.0 111.102 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.656 ' CD2' HH21 ' A' ' 19' ' ' ARG . 0.0 OUTLIER -70.41 -30.26 67.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.44 178.177 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.447 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 12.4 mtp-105 -74.98 0.75 14.78 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 121.079 -0.249 . . . . 0.0 111.466 -177.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -25.91 65.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.439 0.637 . . . . 0.0 109.354 170.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -77.45 -5.39 49.71 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.415 176.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.447 ' CD2' ' HA ' ' A' ' 31' ' ' ARG . 70.2 m-70 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 121.243 0.544 . . . . 0.0 109.56 176.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.92 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.402 0 CA-C-O 121.488 0.661 . . . . 0.0 112.3 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -65.4 -20.54 61.38 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.359 2.039 . . . . 0.0 111.746 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -128.61 83.82 2.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.276 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.571 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -108.74 161.06 15.46 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 179.646 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.498 ' SG ' ' HB2' ' A' ' 16' ' ' ASP . 38.0 t -73.15 123.69 89.81 Favored Pre-proline 0 C--N 1.329 -0.285 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.399 178.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.51 3.32 6.92 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.379 2.053 . . . . 0.0 112.341 177.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.498 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 0.5 OUTLIER -109.07 -42.67 4.36 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 120.981 0.42 . . . . 0.0 110.412 -178.761 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.512 ' HB2' ' HG2' ' A' ' 19' ' ' ARG . 38.3 m -102.15 -32.11 10.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.619 -179.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.0 t0 77.62 52.21 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.725 0.774 . . . . 0.0 109.963 -172.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.571 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 0.3 OUTLIER -85.96 -146.52 0.11 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.201 175.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.92 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -166.71 123.19 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.784 0.326 . . . . 0.0 111.273 176.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -133.61 138.02 45.75 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.83 -24.64 58.64 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.173 0.511 . . . . 0.0 109.951 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 57.1 mtp85 -112.92 136.47 52.54 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.16 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -26.65 68.22 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.47 -1.241 . . . . 0.0 109.827 176.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.682 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -65.39 -40.59 93.65 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.57 175.062 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -67.12 -35.07 78.96 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.439 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.87 -63.63 1.09 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.139 174.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.52 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -55.95 -36.95 68.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.74 -177.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.682 ' HG ' ' O ' ' A' ' 25' ' ' ASP . 74.0 mt -58.56 -46.48 86.79 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.734 0.302 . . . . 0.0 110.96 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -71.41 -35.93 71.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.091 0.472 . . . . 0.0 110.102 177.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.629 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 16.4 mtp180 -74.18 3.38 7.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.618 -175.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.52 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 1.4 mptp? -61.15 -32.64 72.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.006 0.431 . . . . 0.0 110.577 176.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -78.38 -5.08 51.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.816 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.629 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 86.6 m-70 . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.283 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.901 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 3.0 mttt . . . . . 0 CA--C 1.536 0.404 0 CA-C-O 121.238 0.542 . . . . 0.0 111.82 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -61.5 -20.65 69.4 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.823 2.348 . . . . 0.0 113.009 -175.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -130.57 89.24 2.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.094 0.473 . . . . 0.0 111.101 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.406 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -101.33 152.41 20.74 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.864 177.443 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.0 t -68.36 128.36 93.12 Favored Pre-proline 0 C--N 1.33 -0.242 0 C-N-CA 120.615 -0.434 . . . . 0.0 109.861 178.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -78.32 2.07 8.39 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.302 2.001 . . . . 0.0 112.47 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -113.06 -41.76 3.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.122 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.4 m -101.03 -32.46 10.6 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.814 -177.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 77.94 48.38 0.05 OUTLIER 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.663 -172.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.591 HH21 ' HB2' ' A' ' 30' ' ' HIS . 5.2 mtm180 -78.17 -155.62 0.08 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.039 175.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.901 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -161.77 120.82 2.4 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.151 -0.62 . . . . 0.0 112.164 177.406 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.424 ' O ' ' HB3' ' A' ' 10' ' ' LYS . 10.2 m-85 -136.23 150.23 48.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.604 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.11 -15.19 26.33 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.278 0.561 . . . . 0.0 110.092 178.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -115.44 135.59 53.96 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.378 177.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -30.38 71.27 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.686 175.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.438 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -61.8 -42.36 98.91 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.826 175.893 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.725 ' HA ' HD11 ' A' ' 29' ' ' LEU . 1.5 m170 -67.72 -38.09 83.1 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.496 179.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.52 -59.5 4.73 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.636 173.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.509 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -55.38 -37.33 67.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.074 -0.966 . . . . 0.0 111.69 -178.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.749 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 54.5 mt -56.72 -46.73 81.11 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.01 0.433 . . . . 0.0 110.711 178.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.591 ' HB2' HH21 ' A' ' 19' ' ' ARG . 16.8 t60 -70.67 -37.81 73.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.342 177.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.451 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 16.0 mtp-105 -75.29 -2.64 29.13 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.445 -173.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.749 ' HE2' ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -65.23 -28.77 69.59 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.177 0.513 . . . . 0.0 109.757 174.748 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.8 mtp85 -77.49 -6.13 52.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.795 176.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.451 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 72.6 m-70 . . . . . 0 C--N 1.323 -0.565 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 176.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.683 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.1 OUTLIER . . . . . 0 CA--C 1.537 0.478 0 CA-C-O 121.395 0.617 . . . . 0.0 111.936 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -65.19 -30.23 55.16 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.658 2.239 . . . . 0.0 112.613 -175.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -118.67 91.13 3.48 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.954 -175.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.408 ' O ' HD22 ' A' ' 27' ' ' LEU . 2.0 mp0 -89.41 164.47 14.85 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.989 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.2 t -75.51 125.85 88.21 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.39 168.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -71.58 -10.6 26.98 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.18 1.92 . . . . 0.0 112.304 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -108.37 -32.48 7.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.833 0.349 . . . . 0.0 111.287 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 79.7 m -102.11 -31.62 10.52 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -176.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 74.67 23.71 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.201 -0.909 . . . . 0.0 108.915 -167.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.1 mtp85 -67.01 173.21 3.81 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 114.259 -1.337 . . . . 0.0 108.642 171.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.683 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -135.94 127.23 28.3 Favored 'General case' 0 C--N 1.313 -1.0 0 C-N-CA 119.211 -0.996 . . . . 0.0 112.957 -173.485 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.47 ' CE1' HD13 ' A' ' 27' ' ' LEU . 4.2 m-85 -131.83 139.88 48.97 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.126 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.74 -21.26 38.0 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.363 0.602 . . . . 0.0 109.889 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.1 mtp85 -121.7 134.4 54.96 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.686 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.09 -26.33 68.78 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.554 -1.203 . . . . 0.0 110.325 178.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -46.37 83.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.134 175.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.57 ' HA ' HD13 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -62.95 -34.29 77.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.173 177.59 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.47 HD13 ' CE1' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -55.89 -59.25 5.15 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.847 175.215 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.43 -39.18 69.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.475 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.57 HD13 ' HA ' ' A' ' 26' ' ' HIS . 88.6 mt -56.66 -46.3 81.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.296 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -71.98 -36.3 69.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.169 0.509 . . . . 0.0 110.151 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.511 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 11.9 mtp-105 -72.4 -2.61 20.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.947 -173.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.76 -37.0 77.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.192 0.52 . . . . 0.0 110.349 175.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.474 ' HA ' ' HD2' ' A' ' 33' ' ' ARG . 6.3 mmm180 -75.24 -5.21 43.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.08 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.511 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 71.3 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.168 0.509 . . . . 0.0 110.127 176.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.902 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.466 0.346 0 CA-C-O 121.341 0.591 . . . . 0.0 112.087 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -64.39 -15.86 51.97 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 122.582 2.188 . . . . 0.0 113.044 -176.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -131.78 95.19 3.66 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.058 0.456 . . . . 0.0 110.633 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.481 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 1.3 pt20 -100.29 157.09 16.86 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.888 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.544 ' HB3' ' H ' ' A' ' 19' ' ' ARG . 37.2 t -72.26 127.96 89.56 Favored Pre-proline 0 N--CA 1.454 -0.242 0 C-N-CA 120.362 -0.535 . . . . 0.0 109.658 173.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -79.08 3.87 7.04 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.375 2.05 . . . . 0.0 112.312 178.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -113.13 -41.97 3.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.759 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.464 ' HB2' ' HG2' ' A' ' 19' ' ' ARG . 32.7 m -105.65 -32.59 8.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.731 -177.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 t0 78.56 48.65 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.472 -169.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.544 ' H ' ' HB3' ' A' ' 14' ' ' CYS . 4.3 mtm180 -80.78 -168.06 1.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.698 -1.137 . . . . 0.0 108.227 172.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.902 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -153.27 126.52 8.56 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 119.784 -0.766 . . . . 0.0 111.865 178.515 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -134.1 142.68 47.61 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.839 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.4 -27.27 56.25 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.147 0.499 . . . . 0.0 110.113 177.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.4 mtp85 -109.52 137.24 47.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.9 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 t -65.2 -28.01 69.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.816 175.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.483 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -64.97 -39.81 94.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.905 178.25 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.454 ' HA ' HD11 ' A' ' 29' ' ' LEU . 2.0 m170 -69.77 -33.84 72.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.648 178.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.442 ' HA ' HD13 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -55.34 -58.29 8.34 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.6 174.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.434 ' O ' ' HD2' ' A' ' 32' ' ' LYS . . . -55.1 -39.39 69.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.764 -178.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 25' ' ' ASP . 96.2 mt -57.51 -49.03 77.65 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.796 0.332 . . . . 0.0 110.91 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -67.5 -36.68 81.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.36 0.6 . . . . 0.0 110.223 177.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.482 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 7.2 mtp-105 -73.5 2.22 8.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.841 -174.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.434 ' HD2' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -65.66 -29.09 69.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.26 0.552 . . . . 0.0 109.972 176.113 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.22 -3.64 46.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.596 177.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.482 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 72.5 m-70 . . . . . 0 C--N 1.327 -0.404 0 CA-C-O 121.26 0.552 . . . . 0.0 110.17 178.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.758 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.427 0 CA-C-O 121.298 0.57 . . . . 0.0 111.849 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.84 -25.59 79.81 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.661 2.241 . . . . 0.0 112.775 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -130.04 92.81 3.37 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 120.876 0.369 . . . . 0.0 110.983 -177.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.601 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -98.59 158.41 15.62 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.39 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.536 ' SG ' ' HB2' ' A' ' 16' ' ' ASP . 49.4 t -75.24 123.19 88.62 Favored Pre-proline 0 C--N 1.332 -0.178 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 175.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -74.04 -3.51 13.9 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 122.293 1.995 . . . . 0.0 112.104 176.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.536 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -103.92 -33.23 8.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.472 -178.422 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 86.1 m -113.78 -33.17 5.89 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -174.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 83.76 18.85 0.2 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.656 1.182 . . . . 0.0 110.055 -169.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.601 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 7.8 mtp85 -61.64 179.03 0.27 Allowed 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 115.003 -0.998 . . . . 0.0 110.057 171.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.758 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -145.84 130.42 17.89 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.802 -0.759 . . . . 0.0 112.548 -177.896 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -136.49 146.84 46.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.007 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.48 -14.74 39.59 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.305 0.574 . . . . 0.0 109.869 178.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.535 ' HB2' ' HB2' ' A' ' 26' ' ' HIS . 57.1 mtp85 -114.89 134.02 55.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.735 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -28.42 69.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.453 173.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.406 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -66.04 -49.16 68.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.575 177.011 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.535 ' HB2' ' HB2' ' A' ' 23' ' ' ARG . 0.4 OUTLIER -64.44 -33.72 76.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.632 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.574 HD11 ' HD2' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.86 -61.25 2.49 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.612 172.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.491 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -55.98 -41.95 75.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.246 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 25' ' ' ASP . 58.6 mt -54.31 -42.26 69.92 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.773 0.321 . . . . 0.0 111.1 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -72.58 -40.65 66.43 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.245 0.545 . . . . 0.0 109.948 175.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.574 ' HD2' HD11 ' A' ' 27' ' ' LEU . 36.2 mtp180 -74.73 1.63 11.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.617 -175.055 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.491 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -68.92 -25.56 64.64 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 172.866 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -75.92 -16.63 59.99 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.49 176.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.4 ' CD2' ' HA ' ' A' ' 31' ' ' ARG . 69.9 m-70 . . . . . 0 C--N 1.323 -0.581 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.5 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.18 0 CA-C-O 121.101 0.477 . . . . 0.0 111.345 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.15 -19.93 59.1 Favored 'Trans proline' 0 CA--C 1.528 0.193 0 C-N-CA 122.989 2.459 . . . . 0.0 112.623 -177.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.443 ' HB2' ' O ' ' A' ' 21' ' ' PHE . 37.6 m-85 -117.54 84.45 2.16 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.218 0.532 . . . . 0.0 111.193 -178.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.558 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -101.05 156.9 17.15 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 175.667 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.7 t -68.52 128.35 93.04 Favored Pre-proline 0 N--CA 1.451 -0.389 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 175.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -73.07 -5.56 17.41 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.505 2.137 . . . . 0.0 112.127 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.04 -32.68 7.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.789 0.328 . . . . 0.0 110.941 -178.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.7 m -110.6 -32.71 6.8 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -173.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 70.28 50.99 0.39 Allowed 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 123.63 1.681 . . . . 0.0 109.5 -171.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.558 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 2.3 mtp85 -85.4 -155.11 0.21 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 113.096 -1.866 . . . . 0.0 109.327 172.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.6 123.91 7.04 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.167 -0.613 . . . . 0.0 112.415 179.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.443 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 13.7 m-85 -137.26 131.85 32.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.736 178.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.84 -22.88 58.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.111 0.482 . . . . 0.0 109.893 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.1 mtp85 -116.3 137.33 52.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.804 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.62 -25.49 67.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.968 174.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -39.27 87.43 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.58 176.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.638 ' HA ' HD11 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -73.19 -32.36 64.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.672 178.136 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.407 HD11 ' CD1' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -55.14 -57.7 10.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.798 173.539 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.52 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -55.11 -37.81 67.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.779 -178.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.638 HD11 ' HA ' ' A' ' 26' ' ' HIS . 23.2 mt -57.46 -41.47 80.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.671 0.272 . . . . 0.0 111.169 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -75.48 -39.79 58.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.13 0.49 . . . . 0.0 110.234 175.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.501 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 16.8 mtp-105 -71.01 -1.15 11.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.922 -173.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.52 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 0.7 OUTLIER -62.15 -30.85 71.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.127 0.489 . . . . 0.0 110.055 174.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -18.21 62.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.16 177.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.501 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 95.1 m-70 . . . . . 0 C--N 1.323 -0.586 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.811 177.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.564 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.47 0.553 0 CA-C-O 121.253 0.549 . . . . 0.0 111.961 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -74.31 -12.68 23.1 Favored 'Trans proline' 0 CA--C 1.529 0.235 0 C-N-CA 122.668 2.245 . . . . 0.0 112.716 -177.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -124.53 90.17 3.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.868 0.366 . . . . 0.0 110.38 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.727 ' HG2' ' HA ' ' A' ' 20' ' ' SER . 0.3 OUTLIER -111.04 161.91 15.41 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 120.889 0.375 . . . . 0.0 111.257 -178.869 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.418 ' HB3' ' H ' ' A' ' 19' ' ' ARG . 44.3 t -75.13 122.01 86.49 Favored Pre-proline 0 N--CA 1.446 -0.644 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.312 173.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.33 -2.89 12.38 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.436 2.091 . . . . 0.0 112.088 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -110.85 -32.27 6.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.908 -177.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.581 ' HB2' ' HG3' ' A' ' 19' ' ' ARG . 59.3 m -112.06 -32.24 6.63 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -175.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' A' ' 17' ' ' CYS . 0.2 OUTLIER 81.32 34.03 0.11 Allowed 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.862 0.839 . . . . 0.0 108.749 -166.611 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.621 HH21 ' HB2' ' A' ' 30' ' ' HIS . 3.7 mtm180 -83.21 142.6 31.05 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 114.512 -1.222 . . . . 0.0 107.902 171.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.727 ' HA ' ' HG2' ' A' ' 13' ' ' GLN . 0.3 OUTLIER -117.71 138.43 52.02 Favored 'General case' 0 C--N 1.311 -1.084 0 C-N-CA 119.9 -0.72 . . . . 0.0 112.941 -172.278 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -137.55 141.05 41.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.421 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.26 -21.31 29.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.338 0.59 . . . . 0.0 109.926 177.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.7 mtm-85 -111.12 131.25 55.24 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.455 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -25.73 67.53 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.457 -1.247 . . . . 0.0 111.079 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -72.82 -38.02 67.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.531 177.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.91 -31.41 71.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.739 179.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.418 ' O ' ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.4 -62.93 1.35 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.056 174.625 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.461 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -55.45 -38.65 69.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.256 -0.883 . . . . 0.0 111.702 -178.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.512 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 84.9 mt -55.36 -45.49 76.49 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.915 0.388 . . . . 0.0 111.239 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.621 ' HB2' HH21 ' A' ' 19' ' ' ARG . 13.1 t60 -72.95 -38.96 66.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.289 0.566 . . . . 0.0 110.271 177.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.621 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 21.6 mtp-105 -73.12 7.05 2.33 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.519 -173.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.512 ' HE2' ' HA ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -68.84 -26.31 65.09 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 174.233 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.425 ' HD2' ' HA ' ' A' ' 33' ' ' ARG . 3.1 mmm-85 -82.19 6.32 16.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.335 175.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.621 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 88.8 m-70 . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.883 178.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.679 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.386 0 CA-C-O 121.145 0.498 . . . . 0.0 111.36 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -62.57 -18.41 63.47 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.812 2.341 . . . . 0.0 112.387 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.517 ' HB3' HD22 ' A' ' 27' ' ' LEU . 31.9 m-85 -122.82 78.87 1.58 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.095 -179.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -94.6 156.37 16.46 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 175.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.477 ' HA ' HD12 ' A' ' 27' ' ' LEU . 43.9 t -67.2 125.81 91.57 Favored Pre-proline 0 C--N 1.327 -0.399 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.583 177.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -71.95 -3.27 12.9 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.295 1.997 . . . . 0.0 112.336 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -112.72 -33.04 6.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.743 0.306 . . . . 0.0 111.411 -179.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 61.1 m -107.94 -31.93 7.78 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -177.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 75.47 49.12 0.08 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.946 -173.031 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.499 ' HB3' ' H ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -84.59 -148.02 0.1 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.043 177.873 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.679 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -157.46 122.29 4.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.094 0.473 . . . . 0.0 111.59 177.926 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -137.8 134.59 35.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.097 178.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.38 -20.84 33.48 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.301 0.572 . . . . 0.0 109.759 -179.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.89 135.26 50.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.236 177.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -28.35 69.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.336 0.589 . . . . 0.0 109.629 173.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.5 -47.43 81.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.36 175.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.604 ' HA ' HD11 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -59.71 -38.37 81.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.754 178.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.517 HD22 ' HB3' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -55.29 -60.38 3.47 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.984 174.817 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.35 -37.15 67.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.996 -177.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.604 HD11 ' HA ' ' A' ' 26' ' ' HIS . 78.5 mt -58.59 -44.84 89.98 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.944 0.402 . . . . 0.0 111.259 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -71.57 -36.41 70.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.27 0.557 . . . . 0.0 110.018 178.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.503 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 15.0 mtp-105 -74.99 2.33 10.74 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.763 -174.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -39.17 81.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.782 179.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 33' ' ' ARG . 1.4 ttp-105 -84.1 6.83 20.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.621 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.503 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 31.4 m-70 . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 121.1 0.476 . . . . 0.0 110.343 177.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.474 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.3 0 CA-C-O 121.144 0.497 . . . . 0.0 111.586 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.69 -10.43 22.22 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -128.95 90.6 3.06 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.029 0.442 . . . . 0.0 110.435 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.67 153.23 23.72 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.101 179.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.1 t -68.02 128.41 93.3 Favored Pre-proline 0 N--CA 1.453 -0.279 0 C-N-CA 120.554 -0.458 . . . . 0.0 109.94 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -76.07 -5.15 16.0 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.403 2.069 . . . . 0.0 112.442 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -108.24 -40.4 5.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.846 0.355 . . . . 0.0 110.87 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.429 ' HB2' ' CG ' ' A' ' 19' ' ' ARG . 18.0 m -106.33 -32.89 7.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.241 -176.151 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 84.23 24.43 0.11 Allowed 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.956 1.41 . . . . 0.0 110.879 -175.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.429 ' CG ' ' HB2' ' A' ' 17' ' ' CYS . 5.5 mtm180 -64.17 171.24 3.11 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 114.926 -1.033 . . . . 0.0 110.037 170.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.474 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -128.64 139.01 52.47 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -178.126 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -142.72 131.8 23.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.124 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.51 -34.1 71.94 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.165 0.507 . . . . 0.0 110.099 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 23' ' ' ARG . 5.5 mtm-85 -106.9 140.24 40.03 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.381 178.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.17 -26.44 68.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.574 0.702 . . . . 0.0 109.279 174.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.498 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -65.17 -39.72 93.31 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.643 176.013 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.44 ' HA ' HD13 ' A' ' 29' ' ' LEU . 1.9 m170 -68.74 -36.43 78.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.434 177.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.77 -59.35 4.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.083 175.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.571 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -55.42 -37.25 67.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.834 -177.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 25' ' ' ASP . 95.0 mt -55.13 -45.13 75.56 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.95 0.405 . . . . 0.0 110.739 178.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.403 ' HB2' HH21 ' A' ' 19' ' ' ARG . 14.3 t60 -75.62 -35.84 60.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.256 0.55 . . . . 0.0 110.269 177.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.456 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 12.8 mtp-105 -75.71 0.83 16.41 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.232 -173.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.571 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 3.3 mptt -61.42 -31.39 71.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.426 178.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -85.5 6.08 28.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.964 178.267 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.456 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 67.1 m-70 . . . . . 0 C--N 1.327 -0.387 0 CA-C-O 121.074 0.464 . . . . 0.0 110.219 177.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.566 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.373 0 CA-C-O 121.083 0.468 . . . . 0.0 111.272 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -58.56 -21.26 53.89 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.905 2.403 . . . . 0.0 113.178 -175.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -127.26 91.08 3.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.008 0.433 . . . . 0.0 111.13 -178.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.67 154.29 18.72 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.103 178.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.3 t -70.11 132.26 88.36 Favored Pre-proline 0 C--N 1.329 -0.32 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.012 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.01 -6.11 16.41 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.61 2.207 . . . . 0.0 112.897 178.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -112.16 -33.21 6.3 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.843 0.354 . . . . 0.0 111.219 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.5 m -107.11 -32.25 7.91 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -177.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.7 t70 79.07 40.66 0.1 Allowed 'General case' 0 N--CA 1.469 0.485 0 O-C-N 123.896 0.748 . . . . 0.0 110.233 -175.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.525 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . 3.8 mtm180 -76.71 -158.75 0.11 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.284 178.185 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.566 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -150.7 120.61 7.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.345 0.593 . . . . 0.0 112.227 178.776 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.525 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 14.9 m-85 -133.96 141.79 47.43 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.694 178.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.03 -21.14 27.91 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.484 0.659 . . . . 0.0 109.512 178.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.5 mtp85 -117.08 135.01 54.05 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.518 178.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -27.82 69.06 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 114.757 -1.11 . . . . 0.0 109.783 175.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.581 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -62.51 -42.65 99.65 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.29 175.051 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.31 -35.25 75.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.735 177.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.76 -58.81 6.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.56 173.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.4 ' O ' ' HD2' ' A' ' 32' ' ' LYS . . . -55.6 -36.31 66.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.736 -179.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 25' ' ' ASP . 95.7 mt -58.68 -42.13 87.79 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.924 0.393 . . . . 0.0 110.73 178.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.407 ' HB2' HH21 ' A' ' 19' ' ' ARG . 12.4 t60 -74.97 -35.54 62.07 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.246 0.546 . . . . 0.0 110.212 176.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.551 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 22.2 mtp-105 -78.37 3.27 16.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.262 -172.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.4 ' HD2' ' O ' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -57.58 -41.76 81.76 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.126 0.489 . . . . 0.0 110.824 178.034 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -71.96 -14.45 61.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.194 -179.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.551 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 70.5 m-70 . . . . . 0 C--N 1.321 -0.646 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.295 178.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.604 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 121.924 0.868 . . . . 0.0 112.754 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 31.2 Cg_exo -61.16 -32.56 91.11 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 123.758 2.972 . . . . 0.0 112.268 -178.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -117.53 83.77 2.05 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.606 0.717 . . . . 0.0 110.808 -177.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.755 ' NE2' ' HA ' ' A' ' 18' ' ' ASP . 0.7 OUTLIER -83.65 152.74 24.62 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.4 179.542 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.456 ' SG ' ' HB2' ' A' ' 16' ' ' ASP . 37.7 t -77.19 117.45 65.3 Favored Pre-proline 0 N--CA 1.451 -0.4 0 C-N-CA 119.37 -0.932 . . . . 0.0 109.217 165.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -72.98 -2.19 11.62 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.234 1.956 . . . . 0.0 111.508 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.456 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 1.7 m-20 -105.45 -18.1 14.22 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.925 -176.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.3 m -127.49 -33.03 2.37 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -170.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.755 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 1.8 t70 81.87 15.74 0.48 Allowed 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 -164.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.751 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 5.7 mtp85 -71.49 166.97 20.65 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 114.587 -1.188 . . . . 0.0 108.309 168.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.604 ' HB2' ' HB2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -144.75 135.12 24.32 Favored 'General case' 0 C--N 1.314 -0.939 0 C-N-CA 119.905 -0.718 . . . . 0.0 112.261 -174.197 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -134.97 146.01 48.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.447 -179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.09 -18.19 31.08 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.415 0.626 . . . . 0.0 109.413 178.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -118.23 137.5 52.98 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.754 178.277 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.41 -26.42 67.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.985 174.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -47.9 80.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.744 178.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.12 -34.55 78.32 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.528 178.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.466 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -55.89 -62.17 1.88 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.147 174.521 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.446 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -56.05 -38.18 70.24 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.814 -178.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.424 ' O ' ' HB2' ' A' ' 32' ' ' LYS . 55.6 mt -56.98 -50.01 73.98 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 120.892 0.377 . . . . 0.0 110.705 178.208 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -67.08 -37.41 83.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.562 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 31' ' ' ARG . 14.7 mtp-105 -73.14 -1.24 16.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.643 -174.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.446 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -63.06 -28.19 69.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.104 0.478 . . . . 0.0 110.224 174.537 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -80.62 -6.27 58.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.909 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 . . . . . 0 C--N 1.326 -0.447 0 CA-C-O 121.158 0.504 . . . . 0.0 110.15 179.149 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.734 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 8.8 mttt . . . . . 0 N--CA 1.471 0.624 0 CA-C-O 121.37 0.605 . . . . 0.0 112.361 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -62.13 -15.02 41.33 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 123.033 2.489 . . . . 0.0 113.8 -175.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.477 ' HB2' ' O ' ' A' ' 21' ' ' PHE . 47.5 m-85 -124.87 89.83 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.971 0.415 . . . . 0.0 110.966 -178.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -95.57 166.78 11.68 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.101 177.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.6 t -75.79 128.6 83.22 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 114.955 -1.02 . . . . 0.0 109.022 167.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -76.37 -10.33 19.02 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 122.174 1.916 . . . . 0.0 112.49 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -104.8 -39.86 6.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.971 0.415 . . . . 0.0 110.96 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 18' ' ' ASP . 61.1 m -96.25 -31.94 12.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.936 -0.574 . . . . 0.0 112.297 -175.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 17' ' ' CYS . 0.5 OUTLIER 78.23 30.68 0.41 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.448 -171.353 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -72.55 -168.67 0.46 Allowed 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 114.759 -1.109 . . . . 0.0 109.363 174.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.734 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -150.27 124.03 9.21 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 119.49 -0.884 . . . . 0.0 112.774 -175.385 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.477 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 3.8 m-85 -134.8 132.89 39.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.224 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.41 -24.94 42.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.16 0.505 . . . . 0.0 110.358 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -115.1 132.84 56.47 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.837 176.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -21.04 66.25 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.846 -178.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.418 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 2.7 t70 -64.79 -47.41 78.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.753 173.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.586 ' HA ' HD11 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -58.94 -35.61 73.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.071 177.423 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.66 -61.52 2.3 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 175.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.539 ' O ' ' HD2' ' A' ' 32' ' ' LYS . . . -55.79 -41.01 73.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.534 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.586 HD11 ' HA ' ' A' ' 26' ' ' HIS . 89.6 mt -52.74 -45.39 66.99 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.956 0.408 . . . . 0.0 111.153 179.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -75.01 -37.79 61.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.298 0.57 . . . . 0.0 109.883 177.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.547 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 8.2 mtp-105 -74.48 -4.02 34.22 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.152 -173.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.539 ' HD2' ' O ' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -63.81 -33.71 76.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.116 0.484 . . . . 0.0 109.769 178.03 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.47 -4.17 47.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.109 177.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.547 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 39.8 m-70 . . . . . 0 C--N 1.332 -0.181 0 CA-C-O 121.199 0.523 . . . . 0.0 110.189 176.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.86 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.472 0.644 0 CA-C-O 121.716 0.77 . . . . 0.0 112.82 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -63.26 -22.22 72.22 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.508 2.139 . . . . 0.0 112.451 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -132.78 91.91 2.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.711 -178.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.733 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -100.26 160.24 14.49 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 19' ' ' ARG . 43.3 t -73.08 125.96 90.68 Favored Pre-proline 0 C--N 1.328 -0.335 0 C-N-CA 120.143 -0.623 . . . . 0.0 109.673 174.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -77.87 -4.24 14.28 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.541 2.16 . . . . 0.0 112.281 178.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -104.73 -36.42 7.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.951 0.405 . . . . 0.0 110.574 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 79.8 m -103.81 -31.98 9.55 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -175.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 t70 80.95 37.38 0.09 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.169 -166.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.733 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 0.5 OUTLIER -79.21 -159.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.424 175.927 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.86 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -165.44 126.04 1.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.765 178.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -134.62 148.37 50.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.956 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -27.81 41.49 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.941 0.401 . . . . 0.0 110.731 -179.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -120.44 135.2 55.12 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-O 121.634 0.73 . . . . 0.0 110.84 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -25.53 68.21 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 114.26 -1.336 . . . . 0.0 110.678 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.515 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -64.13 -41.63 97.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.178 175.906 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.46 ' HA ' HD13 ' A' ' 29' ' ' LEU . 1.9 m170 -68.11 -34.11 75.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.778 178.46 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.55 -59.5 4.75 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.925 173.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.459 ' O ' ' HD2' ' A' ' 32' ' ' LYS . . . -55.1 -37.77 67.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.162 -0.927 . . . . 0.0 111.602 -178.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 25' ' ' ASP . 95.7 mt -58.7 -44.44 90.31 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.882 0.373 . . . . 0.0 110.898 179.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -72.54 -37.13 68.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.235 0.54 . . . . 0.0 110.16 177.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 31' ' ' ARG . 24.0 mtp-105 -71.35 -5.8 35.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.53 -175.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.459 ' HD2' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -62.16 -31.2 71.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.317 0.579 . . . . 0.0 109.908 175.038 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -15.9 61.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.129 178.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 . . . . . 0 C--N 1.323 -0.559 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.041 -178.912 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.49 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.464 0 CA-C-O 121.536 0.684 . . . . 0.0 112.308 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -67.19 -16.19 48.09 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.61 2.207 . . . . 0.0 112.977 -177.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.588 ' HB3' HD21 ' A' ' 27' ' ' LEU . 51.0 m-85 -128.51 93.2 3.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.968 0.414 . . . . 0.0 110.768 -178.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.643 ' HG2' ' HA ' ' A' ' 20' ' ' SER . 1.1 mt-30 -105.72 160.7 15.01 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.186 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.3 t -72.25 122.88 88.58 Favored Pre-proline 0 N--CA 1.449 -0.519 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 172.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -73.1 -0.78 9.57 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.417 2.078 . . . . 0.0 112.478 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -115.61 -41.05 3.29 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.615 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.0 m -94.58 -33.17 13.13 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -173.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 76.6 24.05 1.04 Allowed 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.622 0.725 . . . . 0.0 109.248 -165.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.531 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 5.1 mtp85 -71.35 157.18 38.53 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 114.292 -1.322 . . . . 0.0 108.139 164.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.643 ' HA ' ' HG2' ' A' ' 13' ' ' GLN . 0.5 OUTLIER -129.67 142.95 50.63 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -175.416 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -141.14 143.2 34.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.154 -178.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.17 -20.35 30.37 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.229 0.538 . . . . 0.0 110.395 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.405 HH21 ' CG ' ' A' ' 25' ' ' ASP . 0.8 OUTLIER -124.49 131.49 53.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.859 177.712 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -22.62 65.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.187 0.518 . . . . 0.0 110.644 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.492 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -62.92 -46.37 88.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.274 175.737 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.612 ' HA ' HD11 ' A' ' 29' ' ' LEU . 1.6 m170 -65.37 -35.78 82.0 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.51 176.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.588 HD21 ' HB3' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -55.46 -60.63 3.15 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.964 174.873 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.567 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -56.07 -38.16 70.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.694 -178.037 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.612 HD11 ' HA ' ' A' ' 26' ' ' HIS . 95.8 mt -55.74 -41.7 74.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.22 0.533 . . . . 0.0 110.622 178.07 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.507 ' HB2' HH21 ' A' ' 19' ' ' ARG . 18.4 t60 -75.18 -41.29 58.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.591 176.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.577 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 37.5 mtp180 -74.42 -8.88 57.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.677 -172.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.567 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 2.3 mptt -61.8 -30.83 71.08 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.255 0.55 . . . . 0.0 109.646 176.169 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -72.34 -17.18 61.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.2 177.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.577 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 72.0 m-70 . . . . . 0 C--N 1.324 -0.52 0 CA-C-O 121.062 0.458 . . . . 0.0 110.613 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.1 mttt . . . . . 0 N--CA 1.467 0.381 0 CA-C-O 121.074 0.464 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -61.71 -16.71 50.37 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.742 2.295 . . . . 0.0 112.692 -176.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.437 ' O ' ' HD1' ' A' ' 21' ' ' PHE . 52.9 m-85 -120.19 77.58 1.27 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.069 0.461 . . . . 0.0 111.13 -178.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -100.33 156.11 17.42 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 176.325 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.447 ' HA ' HD13 ' A' ' 27' ' ' LEU . 44.8 t -69.16 127.55 92.95 Favored Pre-proline 0 C--N 1.327 -0.382 0 C-N-CA 120.547 -0.461 . . . . 0.0 109.864 178.32 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -73.84 -2.46 12.27 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.328 2.019 . . . . 0.0 112.54 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -113.99 -37.55 4.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.891 0.376 . . . . 0.0 111.206 -179.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 39.1 m -102.6 -31.85 10.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.66 -178.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 t0 72.42 52.79 0.17 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.033 -173.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.433 ' HB3' ' H ' ' A' ' 20' ' ' SER . 0.2 OUTLIER -85.14 -154.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.439 176.04 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.433 ' H ' ' HB3' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -153.12 124.42 7.58 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.254 -0.578 . . . . 0.0 112.098 177.399 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.437 ' HD1' ' O ' ' A' ' 12' ' ' PHE . 3.8 m-85 -138.61 135.51 35.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.009 177.259 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.09 -12.35 50.32 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.4 0.619 . . . . 0.0 109.823 178.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.624 ' HB2' ' HB2' ' A' ' 26' ' ' HIS . 7.0 mtm-85 -110.83 131.52 54.98 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.062 -179.15 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -26.33 68.56 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.254 -1.339 . . . . 0.0 111.196 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -81.34 -32.74 32.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.511 178.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.624 ' HB2' ' HB2' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -62.84 -36.54 83.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.638 178.702 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 14' ' ' CYS . 0.4 OUTLIER -55.63 -60.82 2.9 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.257 0.551 . . . . 0.0 109.817 174.33 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.488 ' O ' ' HD2' ' A' ' 32' ' ' LYS . . . -55.12 -37.25 66.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.876 -1.056 . . . . 0.0 111.812 -178.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.427 ' HA ' HD23 ' A' ' 29' ' ' LEU . 60.0 mt -54.74 -49.8 69.93 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 123.124 0.265 . . . . 0.0 111.225 178.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -70.64 -36.6 73.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.264 0.554 . . . . 0.0 110.189 177.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.473 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 15.7 mtp-105 -74.71 -4.4 37.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.571 -174.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.488 ' HD2' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -62.95 -27.82 69.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.901 0.382 . . . . 0.0 110.023 176.721 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -78.88 -11.71 60.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.791 177.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.473 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 87.7 m-70 . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.906 176.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.422 ' HB3' ' O ' ' A' ' 21' ' ' PHE . 1.2 mttm . . . . . 0 N--CA 1.466 0.348 0 CA-C-O 121.176 0.512 . . . . 0.0 111.898 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -63.66 -17.63 60.74 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 122.582 2.188 . . . . 0.0 113.263 -175.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.644 ' HB3' HD21 ' A' ' 27' ' ' LEU . 42.2 m-85 -126.1 92.55 3.6 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.66 0.267 . . . . 0.0 110.851 -177.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.477 ' O ' HD23 ' A' ' 27' ' ' LEU . 1.7 mp0 -95.6 169.4 10.06 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 121.034 -0.266 . . . . 0.0 110.88 177.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.495 ' HB3' ' H ' ' A' ' 19' ' ' ARG . 52.0 t -76.87 123.96 87.5 Favored Pre-proline 0 C--N 1.318 -0.783 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.762 166.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.64 5.03 5.51 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.405 2.07 . . . . 0.0 112.036 176.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.2 -40.95 3.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.132 0.491 . . . . 0.0 110.845 -178.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 59.0 m -104.23 -31.35 9.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.346 -175.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 78.63 43.25 0.08 Allowed 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -166.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.555 HH21 ' HB2' ' A' ' 30' ' ' HIS . 7.2 mtm180 -80.7 -174.41 4.71 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 171.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.41 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -147.1 129.28 15.62 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 119.701 -0.8 . . . . 0.0 112.222 178.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.422 ' O ' ' HB3' ' A' ' 10' ' ' LYS . 28.6 m-85 -133.95 139.12 45.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.375 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.11 -25.65 31.77 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.465 0.65 . . . . 0.0 109.717 177.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.1 mtp85 -111.83 132.15 54.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.563 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.28 -26.81 68.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.253 177.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -68.41 -40.84 81.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.158 177.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.615 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -65.13 -34.68 78.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.718 177.415 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.644 HD21 ' HB3' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -55.27 -62.23 1.81 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.807 175.155 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.603 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -56.22 -35.7 67.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.793 -177.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' A' ' 26' ' ' HIS . 51.5 mt -56.19 -45.16 79.91 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.891 0.377 . . . . 0.0 110.963 178.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.555 ' HB2' HH21 ' A' ' 19' ' ' ARG . 20.5 t60 -75.8 -37.72 58.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.424 176.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 31' ' ' ARG . 20.0 mtp-105 -72.73 -4.15 29.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.348 -175.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.603 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -65.23 -27.18 68.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.964 0.412 . . . . 0.0 110.018 177.349 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -77.07 -8.01 56.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.883 175.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 . . . . . 0 C--N 1.325 -0.47 0 CA-C-O 121.185 0.517 . . . . 0.0 109.926 178.307 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.759 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 3.7 mttt . . . . . 0 CA--C 1.543 0.705 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -68.42 -16.58 43.48 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 122.922 2.415 . . . . 0.0 113.208 -177.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -130.18 89.75 2.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.173 0.511 . . . . 0.0 111.036 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.693 ' HG2' ' O ' ' A' ' 19' ' ' ARG . 0.9 OUTLIER -89.63 153.13 20.98 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.086 -178.849 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.8 t -70.73 130.39 88.77 Favored Pre-proline 0 N--CA 1.453 -0.318 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 169.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -74.47 -5.02 16.31 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.471 2.114 . . . . 0.0 112.769 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -115.84 -31.77 5.67 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -177.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 86.4 m -104.02 -32.08 9.39 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -174.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 78.96 14.79 1.11 Allowed 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 -167.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.693 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 11.0 mtp85 -62.69 157.91 19.77 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 113.973 -1.467 . . . . 0.0 108.882 167.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.759 ' HB2' ' HB2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -134.55 136.22 42.87 Favored 'General case' 0 C--N 1.31 -1.125 0 C-N-CA 119.368 -0.933 . . . . 0.0 112.925 -170.759 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.412 ' O ' ' HB3' ' A' ' 10' ' ' LYS . 4.6 m-85 -135.23 146.81 48.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.59 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.77 -11.99 49.42 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.342 0.591 . . . . 0.0 109.93 178.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.7 mtm-85 -124.55 136.29 53.86 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.71 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -29.61 70.7 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-N 114.404 -1.271 . . . . 0.0 109.785 176.009 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -40.24 94.84 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.891 175.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -70.49 -31.2 68.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.691 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.64 -60.78 2.95 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 173.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.482 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -56.05 -41.34 74.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.725 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.9 mt -54.93 -44.31 74.15 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.962 0.41 . . . . 0.0 111.039 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.458 ' HB2' HH21 ' A' ' 19' ' ' ARG . 14.0 t60 -74.49 -38.13 62.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.325 0.583 . . . . 0.0 110.121 177.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.541 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 20.5 mtp-105 -74.24 -3.96 33.12 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.419 -173.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.482 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -65.61 -27.47 68.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.118 0.485 . . . . 0.0 109.726 175.461 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.27 -18.65 60.69 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.644 175.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.541 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 92.5 m-70 . . . . . 0 C--N 1.322 -0.594 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.025 176.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.78 -0.528 . . . . 0.0 111.78 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m -155.76 107.07 2.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.117 0.485 . . . . 0.0 110.66 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.621 ' HB ' ' HA3' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -112.77 -40.96 3.89 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.923 0.868 . . . . 0.0 110.499 -179.19 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 7' ' ' THR . 15.2 mtm180 -151.09 54.02 0.87 Allowed 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 113.988 -1.46 . . . . 0.0 108.943 176.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 80.68 -74.76 2.34 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.277 -173.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.561 ' HB2' ' HA ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -149.1 10.95 0.8 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.979 0.419 . . . . 0.0 110.625 177.2 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.805 ' HA ' ' HG3' ' A' ' 13' ' ' GLN . 1.1 p -136.43 73.91 1.47 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.323 0.582 . . . . 0.0 111.855 -174.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.621 ' HA3' ' HB ' ' A' ' 3' ' ' THR . . . -97.55 -97.05 1.95 Allowed Glycine 0 N--CA 1.44 -1.095 0 C-N-CA 120.442 -0.885 . . . . 0.0 113.204 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.557 ' HB ' ' HB3' ' A' ' 20' ' ' SER . 2.6 mt -78.77 161.14 4.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -174.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 mttt 59.24 146.46 0.06 OUTLIER Pre-proline 0 N--CA 1.471 0.59 0 C-N-CA 123.778 0.831 . . . . 0.0 112.844 173.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -66.04 -20.53 57.08 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.256 1.971 . . . . 0.0 111.883 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -123.16 81.21 1.85 Allowed 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.754 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.805 ' HG3' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -103.16 159.54 15.45 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.135 179.244 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.453 ' SG ' ' HB2' ' A' ' 16' ' ' ASP . 44.1 t -74.89 121.2 84.74 Favored Pre-proline 0 C--N 1.327 -0.407 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.262 177.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.561 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 73.3 Cg_endo -75.43 3.73 5.58 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.725 2.283 . . . . 0.0 112.153 176.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.453 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 0.4 OUTLIER -108.9 -29.39 8.64 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.748 -179.565 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.6 m -117.06 -32.69 4.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.35 -176.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.425 ' HB2' ' HA ' ' A' ' 6' ' ' SER . 9.3 t0 79.93 49.6 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.392 -0.822 . . . . 0.0 108.976 -166.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.495 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 6.6 mmm180 -83.78 -154.83 0.16 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.352 177.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.557 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 0.5 OUTLIER -163.11 122.59 2.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.164 0.507 . . . . 0.0 111.46 175.034 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -133.77 136.27 44.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.253 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -18.04 52.09 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.362 0.601 . . . . 0.0 109.743 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -118.84 129.13 55.05 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.773 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -29.57 67.0 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.38 -1.282 . . . . 0.0 111.1 177.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.94 -47.48 80.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.805 178.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -64.65 -31.62 72.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.774 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.38 -60.41 3.45 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.755 173.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.568 ' O ' ' HD2' ' A' ' 32' ' ' LYS . . . -56.12 -36.23 67.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.612 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.436 ' O ' ' HB2' ' A' ' 32' ' ' LYS . 68.1 mt -61.42 -42.88 99.44 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.168 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.478 ' HB2' HH21 ' A' ' 19' ' ' ARG . 10.7 t60 -72.41 -36.33 68.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.307 0.575 . . . . 0.0 109.891 176.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.461 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 18.2 mtp-105 -74.67 -2.24 25.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.305 -175.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.568 ' HD2' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -63.46 -26.11 68.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.923 174.336 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -80.78 -7.89 59.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.832 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.461 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 73.4 m-70 -98.97 5.87 46.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 -178.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.1 mtt -81.0 -70.75 0.51 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.36 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.74 53.36 1.6 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 176.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.249 1.046 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.944 -178.373 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.602 ' HA3' ' OG ' ' A' ' 6' ' ' SER . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 111.481 -0.648 . . . . 0.0 111.481 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.7 -33.79 0.41 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.514 0.157 . . . . 0.0 111.37 -177.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.422 ' HG1' ' CG ' ' A' ' 18' ' ' ASP . 0.2 OUTLIER -73.09 90.17 1.52 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.659 0.266 . . . . 0.0 111.092 -178.525 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 56.83 -105.24 0.26 Allowed 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.681 -178.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -100.69 40.96 2.26 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.947 176.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.602 ' OG ' ' HA3' ' A' ' 1' ' ' GLY . 19.7 m 61.64 35.18 17.24 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.237 0.615 . . . . 0.0 111.58 -179.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.04 95.81 3.18 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.692 179.145 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -120.67 -92.43 1.28 Allowed Glycine 0 N--CA 1.441 -0.991 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.85 -177.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.495 HG23 ' H ' ' A' ' 10' ' ' LYS . 4.7 mt -79.54 159.34 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -176.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.564 ' CD ' ' HB2' ' A' ' 20' ' ' SER . 1.5 mttt 55.43 147.42 0.05 OUTLIER Pre-proline 0 N--CA 1.474 0.766 0 C-N-CA 123.857 0.863 . . . . 0.0 113.193 172.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.28 -20.28 21.41 Favored 'Trans proline' 0 CA--C 1.529 0.266 0 C-N-CA 122.236 1.957 . . . . 0.0 112.403 -176.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -126.5 82.64 2.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.474 -178.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.695 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 1.8 pt20 -113.04 162.63 15.68 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 121.141 -0.224 . . . . 0.0 110.606 -177.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.0 t -75.31 123.08 88.52 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.491 176.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -78.82 -1.63 11.76 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.724 2.283 . . . . 0.0 112.533 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -104.24 -42.57 5.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.208 0.528 . . . . 0.0 110.769 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 61.8 m -96.42 -32.17 12.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.14 -176.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.617 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 0.7 OUTLIER 81.1 43.58 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.981 0.801 . . . . 0.0 109.637 -171.887 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.695 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 3.7 mtm180 -81.01 -158.38 0.2 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.761 -1.108 . . . . 0.0 108.662 173.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.564 ' HB2' ' CD ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -170.09 125.67 0.79 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.962 0.41 . . . . 0.0 111.612 176.761 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -133.4 152.94 51.96 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.26 -17.79 23.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.145 0.497 . . . . 0.0 110.184 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.8 mtp85 -114.44 129.77 56.67 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.47 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -29.04 70.4 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.562 -1.199 . . . . 0.0 110.444 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -43.45 95.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.103 174.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.716 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -62.84 -35.27 79.39 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.913 179.431 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.1 -60.31 3.66 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.145 0.498 . . . . 0.0 109.962 174.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.54 -37.21 67.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.851 -176.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.716 HD12 ' HA ' ' A' ' 26' ' ' HIS . 41.1 mt -54.45 -45.67 73.15 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.857 0.36 . . . . 0.0 110.881 178.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.525 ' HB2' HH21 ' A' ' 19' ' ' ARG . 19.0 t60 -72.6 -39.75 67.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.533 177.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.445 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 19.7 mtp-105 -74.24 -0.93 18.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.773 -173.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -66.79 -26.77 67.11 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.34 -14.22 60.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.525 176.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.445 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 86.6 m-70 -90.91 -6.61 53.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.741 176.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -92.83 18.51 8.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.029 176.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.8 mt -109.65 54.82 0.65 Allowed 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 176.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.246 0.918 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.527 -174.62 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 111.734 -0.546 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.3 m 58.43 45.34 16.8 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 120.907 0.384 . . . . 0.0 111.435 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.429 ' HG1' ' CG ' ' A' ' 18' ' ' ASP . 2.6 m -70.98 121.58 18.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.478 177.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.58 ' HG3' ' HA2' ' A' ' 8' ' ' GLY . 6.2 mmm-85 54.27 53.18 11.32 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.443 -178.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 73.78 -99.95 1.07 Allowed Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -174.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.442 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 3.2 m -134.58 18.27 3.6 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.976 0.417 . . . . 0.0 110.027 175.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.34 74.23 1.47 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.993 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.58 ' HA2' ' HG3' ' A' ' 4' ' ' ARG . . . -73.5 -100.92 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.909 -0.662 . . . . 0.0 111.51 178.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.544 HG21 ' HE2' ' A' ' 10' ' ' LYS . 0.9 OUTLIER -79.05 157.88 4.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.066 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.544 ' HE2' HG21 ' A' ' 9' ' ' ILE . 0.0 OUTLIER 56.89 148.45 0.05 OUTLIER Pre-proline 0 CA--C 1.539 0.537 0 CA-C-O 121.67 0.747 . . . . 0.0 112.48 177.352 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -60.55 -23.62 75.96 Favored 'Trans proline' 0 CA--C 1.529 0.266 0 C-N-CA 122.193 1.928 . . . . 0.0 112.348 -178.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -131.08 93.52 3.4 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.534 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.66 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -100.0 162.68 12.83 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 177.741 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.624 ' HB2' ' HE1' ' A' ' 30' ' ' HIS . 45.2 t -76.02 128.63 82.71 Favored Pre-proline 0 N--CA 1.449 -0.509 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.012 173.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -78.77 -3.63 13.41 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 121.953 1.769 . . . . 0.0 112.009 174.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.415 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 1.6 m-20 -109.61 -40.07 4.96 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.904 0.383 . . . . 0.0 111.161 -176.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.414 ' HB2' ' HG3' ' A' ' 19' ' ' ARG . 80.4 m -94.28 -32.85 13.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.039 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.429 ' CG ' ' HG1' ' A' ' 3' ' ' THR . 0.7 OUTLIER 77.89 39.18 0.17 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.412 -1.267 . . . . 0.0 108.384 -165.173 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.66 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 1.3 mtm-85 -78.49 -160.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.485 -1.234 . . . . 0.0 109.774 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.507 ' HB2' ' HB2' ' A' ' 10' ' ' LYS . 1.5 p -165.32 122.38 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.133 0.492 . . . . 0.0 111.615 178.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.437 ' CZ ' ' HD2' ' A' ' 19' ' ' ARG . 52.8 m-85 -134.41 140.58 46.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.308 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.37 -25.21 46.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.342 0.591 . . . . 0.0 109.645 178.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -115.6 132.9 56.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.303 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.63 -26.77 68.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.973 176.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.456 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -61.2 -41.72 97.32 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.74 177.832 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.43 ' HA ' HD12 ' A' ' 29' ' ' LEU . 1.2 m170 -70.4 -35.08 73.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.33 177.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.93 -60.57 3.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.078 175.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.45 -38.65 69.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.992 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 25' ' ' ASP . 69.4 mt -57.69 -49.84 75.17 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 120.839 0.352 . . . . 0.0 111.102 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.656 ' CD2' HH21 ' A' ' 19' ' ' ARG . 0.0 OUTLIER -70.41 -30.26 67.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.44 178.177 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.447 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 12.4 mtp-105 -74.98 0.75 14.78 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 121.079 -0.249 . . . . 0.0 111.466 -177.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -25.91 65.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.439 0.637 . . . . 0.0 109.354 170.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -77.45 -5.39 49.71 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.415 176.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.447 ' CD2' ' HA ' ' A' ' 31' ' ' ARG . 70.2 m-70 -98.64 -5.0 32.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.243 0.544 . . . . 0.0 109.56 176.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.5 mtp -88.62 -44.44 10.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.205 -0.907 . . . . 0.0 108.667 171.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.37 81.95 1.95 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.257 175.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.425 -0.798 . . . . 0.0 111.002 -174.684 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.861 0 N-CA-C 112.092 -0.403 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.63 103.02 2.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.761 0.315 . . . . 0.0 110.914 -178.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.6 p -99.78 -27.92 13.4 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.813 0.816 . . . . 0.0 110.013 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.1 mmt-85 -144.73 52.28 1.24 Allowed 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 114.217 -1.356 . . . . 0.0 109.628 177.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 69.62 26.9 73.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.951 -177.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 m 66.73 12.76 9.04 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.392 0.677 . . . . 0.0 111.414 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.46 ' HA ' ' CG ' ' A' ' 13' ' ' GLN . 1.7 p -136.96 73.23 1.44 Allowed 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.29 0.567 . . . . 0.0 110.234 175.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.32 -97.74 1.73 Allowed Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 120.402 -0.904 . . . . 0.0 113.249 -176.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.556 HG21 ' H ' ' A' ' 10' ' ' LYS . 5.1 mt -79.68 160.44 4.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.53 -0.335 . . . . 0.0 111.639 -174.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.92 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER 60.2 147.16 0.07 OUTLIER Pre-proline 0 N--CA 1.467 0.402 0 C-N-CA 123.432 0.693 . . . . 0.0 112.3 174.533 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -65.4 -20.54 61.38 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.359 2.039 . . . . 0.0 111.746 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -128.61 83.82 2.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.276 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.571 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -108.74 161.06 15.46 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 179.646 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.498 ' SG ' ' HB2' ' A' ' 16' ' ' ASP . 38.0 t -73.15 123.69 89.81 Favored Pre-proline 0 C--N 1.329 -0.285 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.399 178.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.51 3.32 6.92 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.379 2.053 . . . . 0.0 112.341 177.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.498 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 0.5 OUTLIER -109.07 -42.67 4.36 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 120.981 0.42 . . . . 0.0 110.412 -178.761 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.512 ' HB2' ' HG2' ' A' ' 19' ' ' ARG . 38.3 m -102.15 -32.11 10.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.619 -179.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.0 t0 77.62 52.21 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.725 0.774 . . . . 0.0 109.963 -172.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.571 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 0.3 OUTLIER -85.96 -146.52 0.11 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.201 175.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.92 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -166.71 123.19 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.784 0.326 . . . . 0.0 111.273 176.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -133.61 138.02 45.75 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.83 -24.64 58.64 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.173 0.511 . . . . 0.0 109.951 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 57.1 mtp85 -112.92 136.47 52.54 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.16 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -26.65 68.22 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.47 -1.241 . . . . 0.0 109.827 176.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.682 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -65.39 -40.59 93.65 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.57 175.062 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -67.12 -35.07 78.96 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.439 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.87 -63.63 1.09 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.139 174.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.52 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -55.95 -36.95 68.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.74 -177.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.682 ' HG ' ' O ' ' A' ' 25' ' ' ASP . 74.0 mt -58.56 -46.48 86.79 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.734 0.302 . . . . 0.0 110.96 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -71.41 -35.93 71.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.091 0.472 . . . . 0.0 110.102 177.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.629 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 16.4 mtp180 -74.18 3.38 7.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.618 -175.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.52 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 1.4 mptp? -61.15 -32.64 72.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.006 0.431 . . . . 0.0 110.577 176.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -78.38 -5.08 51.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.816 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.629 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 86.6 m-70 -101.4 4.13 41.12 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.283 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 17.1 mmt -97.93 24.82 6.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.385 0.612 . . . . 0.0 110.344 178.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.66 72.8 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.418 179.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--O 1.252 1.189 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.475 -177.434 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.558 0 N-CA-C 112.596 -0.202 . . . . 0.0 112.596 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.661 ' HG ' ' HB2' ' A' ' 18' ' ' ASP . 0.8 OUTLIER -81.3 -34.11 32.15 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.871 0.336 . . . . 0.0 110.327 177.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.743 HG23 HG22 ' A' ' 7' ' ' THR . 0.2 OUTLIER 57.41 -141.86 0.75 Allowed 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.122 176.704 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 4' ' ' ARG . 0.0 OUTLIER 60.02 56.41 3.4 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.124 0.488 . . . . 0.0 111.018 179.63 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 102.0 -53.6 0.8 Allowed Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.006 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.62 74.28 9.89 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.945 0.403 . . . . 0.0 110.726 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.743 HG22 HG23 ' A' ' 3' ' ' THR . 0.0 OUTLIER -84.96 72.32 10.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.405 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.57 50.48 30.51 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.382 -0.826 . . . . 0.0 113.159 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.6 mt -76.69 160.59 4.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.901 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 3.0 mttt 63.16 147.34 0.09 OUTLIER Pre-proline 0 CA--C 1.536 0.404 0 CA-C-O 121.238 0.542 . . . . 0.0 111.82 177.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -61.5 -20.65 69.4 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.823 2.348 . . . . 0.0 113.009 -175.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -130.57 89.24 2.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.094 0.473 . . . . 0.0 111.101 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.406 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -101.33 152.41 20.74 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.864 177.443 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.0 t -68.36 128.36 93.12 Favored Pre-proline 0 C--N 1.33 -0.242 0 C-N-CA 120.615 -0.434 . . . . 0.0 109.861 178.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -78.32 2.07 8.39 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.302 2.001 . . . . 0.0 112.47 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -113.06 -41.76 3.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.122 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.4 m -101.03 -32.46 10.6 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.814 -177.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.661 ' HB2' ' HG ' ' A' ' 2' ' ' SER . 0.3 OUTLIER 77.94 48.38 0.05 OUTLIER 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.663 -172.346 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.591 HH21 ' HB2' ' A' ' 30' ' ' HIS . 5.2 mtm180 -78.17 -155.62 0.08 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.039 175.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.901 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -161.77 120.82 2.4 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.151 -0.62 . . . . 0.0 112.164 177.406 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.424 ' O ' ' HB3' ' A' ' 10' ' ' LYS . 10.2 m-85 -136.23 150.23 48.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.604 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.11 -15.19 26.33 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.278 0.561 . . . . 0.0 110.092 178.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -115.44 135.59 53.96 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.378 177.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -30.38 71.27 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.686 175.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.438 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -61.8 -42.36 98.91 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.826 175.893 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.725 ' HA ' HD11 ' A' ' 29' ' ' LEU . 1.5 m170 -67.72 -38.09 83.1 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.496 179.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.52 -59.5 4.73 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.636 173.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.509 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -55.38 -37.33 67.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.074 -0.966 . . . . 0.0 111.69 -178.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.749 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 54.5 mt -56.72 -46.73 81.11 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.01 0.433 . . . . 0.0 110.711 178.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.591 ' HB2' HH21 ' A' ' 19' ' ' ARG . 16.8 t60 -70.67 -37.81 73.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.342 177.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.451 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 16.0 mtp-105 -75.29 -2.64 29.13 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.445 -173.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.749 ' HE2' ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -65.23 -28.77 69.59 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.177 0.513 . . . . 0.0 109.757 174.748 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.8 mtp85 -77.49 -6.13 52.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.795 176.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.451 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 72.6 m-70 -96.5 -9.47 29.55 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 176.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.7 mtt -87.46 -54.98 4.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.676 174.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.0 mt -124.57 92.48 3.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.468 173.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.762 -0.637 . . . . 0.0 110.591 -176.35 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.441 ' O ' ' HA ' ' A' ' 17' ' ' CYS . . . . . . . . 0 N--CA 1.484 1.847 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.0 m 49.92 -112.43 0.57 Allowed 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 122.844 0.458 . . . . 0.0 112.202 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 61.46 18.28 9.22 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.435 0.636 . . . . 0.0 111.205 -176.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -96.03 94.01 7.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.847 177.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 93.15 -39.4 2.97 Favored Glycine 0 N--CA 1.448 -0.522 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -174.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.94 103.55 0.74 Allowed 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 122.602 0.361 . . . . 0.0 110.579 177.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.93 73.89 1.18 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.708 -177.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.09 35.47 33.49 Favored Glycine 0 C--N 1.334 0.42 0 CA-C-N 115.584 -0.734 . . . . 0.0 114.02 177.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.505 ' O ' ' HB3' ' A' ' 20' ' ' SER . 0.8 OUTLIER -77.8 162.84 4.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.708 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.683 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.1 OUTLIER 64.02 149.55 0.11 Allowed Pre-proline 0 CA--C 1.537 0.478 0 CA-C-O 121.395 0.617 . . . . 0.0 111.936 175.426 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -65.19 -30.23 55.16 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.658 2.239 . . . . 0.0 112.613 -175.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -118.67 91.13 3.48 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.954 -175.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.408 ' O ' HD22 ' A' ' 27' ' ' LEU . 2.0 mp0 -89.41 164.47 14.85 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.989 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.2 t -75.51 125.85 88.21 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.39 168.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -71.58 -10.6 26.98 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.18 1.92 . . . . 0.0 112.304 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -108.37 -32.48 7.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.833 0.349 . . . . 0.0 111.287 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 1' ' ' GLY . 79.7 m -102.11 -31.62 10.52 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -176.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 74.67 23.71 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.201 -0.909 . . . . 0.0 108.915 -167.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.1 mtp85 -67.01 173.21 3.81 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 114.259 -1.337 . . . . 0.0 108.642 171.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.683 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -135.94 127.23 28.3 Favored 'General case' 0 C--N 1.313 -1.0 0 C-N-CA 119.211 -0.996 . . . . 0.0 112.957 -173.485 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.47 ' CE1' HD13 ' A' ' 27' ' ' LEU . 4.2 m-85 -131.83 139.88 48.97 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.126 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.74 -21.26 38.0 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.363 0.602 . . . . 0.0 109.889 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.1 mtp85 -121.7 134.4 54.96 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.686 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.09 -26.33 68.78 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.554 -1.203 . . . . 0.0 110.325 178.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -46.37 83.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.134 175.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.57 ' HA ' HD13 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -62.95 -34.29 77.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.173 177.59 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.47 HD13 ' CE1' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -55.89 -59.25 5.15 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.847 175.215 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.43 -39.18 69.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.475 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.57 HD13 ' HA ' ' A' ' 26' ' ' HIS . 88.6 mt -56.66 -46.3 81.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.296 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -71.98 -36.3 69.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.169 0.509 . . . . 0.0 110.151 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.511 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 11.9 mtp-105 -72.4 -2.61 20.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.947 -173.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.76 -37.0 77.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.192 0.52 . . . . 0.0 110.349 175.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.474 ' HA ' ' HD2' ' A' ' 33' ' ' ARG . 6.3 mmm180 -75.24 -5.21 43.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.08 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.511 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 71.3 m-70 -91.94 -11.37 36.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.168 0.509 . . . . 0.0 110.127 176.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 40.8 mtt -85.68 -22.02 28.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.064 176.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -127.64 65.7 1.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.646 178.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.537 -0.744 . . . . 0.0 110.842 -177.829 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 111.837 -0.505 . . . . 0.0 111.837 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m 59.8 -152.6 0.39 Allowed 'General case' 0 C--O 1.236 0.346 0 C-N-CA 122.355 0.262 . . . . 0.0 110.691 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.501 ' H ' ' HB2' ' A' ' 18' ' ' ASP . 0.2 OUTLIER 55.97 30.92 16.96 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.999 0.428 . . . . 0.0 111.636 179.204 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -96.08 122.64 39.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.138 -177.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 77.76 -88.34 1.05 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.53 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.72 141.99 42.54 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.848 0.356 . . . . 0.0 110.265 178.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.37 74.61 0.88 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.656 -177.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.639 ' HA2' ' NE2' ' A' ' 13' ' ' GLN . . . 63.32 33.07 86.25 Favored Glycine 0 CA--C 1.509 -0.337 0 CA-C-N 115.73 -0.668 . . . . 0.0 113.312 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.494 HG23 ' HE3' ' A' ' 10' ' ' LYS . 9.0 mt -78.34 160.69 4.51 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-N 115.624 -0.288 . . . . 0.0 110.296 176.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.902 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.1 OUTLIER 62.53 147.35 0.09 OUTLIER Pre-proline 0 N--CA 1.466 0.346 0 CA-C-O 121.341 0.591 . . . . 0.0 112.087 177.866 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -64.39 -15.86 51.97 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 122.582 2.188 . . . . 0.0 113.044 -176.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -131.78 95.19 3.66 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.058 0.456 . . . . 0.0 110.633 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.639 ' NE2' ' HA2' ' A' ' 8' ' ' GLY . 1.3 pt20 -100.29 157.09 16.86 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.888 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.544 ' HB3' ' H ' ' A' ' 19' ' ' ARG . 37.2 t -72.26 127.96 89.56 Favored Pre-proline 0 N--CA 1.454 -0.242 0 C-N-CA 120.362 -0.535 . . . . 0.0 109.658 173.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -79.08 3.87 7.04 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.375 2.05 . . . . 0.0 112.312 178.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -113.13 -41.97 3.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.759 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.464 ' HB2' ' HG2' ' A' ' 19' ' ' ARG . 32.7 m -105.65 -32.59 8.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.731 -177.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.501 ' HB2' ' H ' ' A' ' 3' ' ' THR . 1.2 t0 78.56 48.65 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.472 -169.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.544 ' H ' ' HB3' ' A' ' 14' ' ' CYS . 4.3 mtm180 -80.78 -168.06 1.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.698 -1.137 . . . . 0.0 108.227 172.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.902 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -153.27 126.52 8.56 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 119.784 -0.766 . . . . 0.0 111.865 178.515 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -134.1 142.68 47.61 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.839 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.4 -27.27 56.25 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.147 0.499 . . . . 0.0 110.113 177.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.4 mtp85 -109.52 137.24 47.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.9 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 t -65.2 -28.01 69.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.816 175.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.483 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -64.97 -39.81 94.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.905 178.25 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.454 ' HA ' HD11 ' A' ' 29' ' ' LEU . 2.0 m170 -69.77 -33.84 72.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.648 178.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.442 ' HA ' HD13 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -55.34 -58.29 8.34 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.6 174.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.434 ' O ' ' HD2' ' A' ' 32' ' ' LYS . . . -55.1 -39.39 69.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.764 -178.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 25' ' ' ASP . 96.2 mt -57.51 -49.03 77.65 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.796 0.332 . . . . 0.0 110.91 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -67.5 -36.68 81.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.36 0.6 . . . . 0.0 110.223 177.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.482 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 7.2 mtp-105 -73.5 2.22 8.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.841 -174.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.434 ' HD2' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -65.66 -29.09 69.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.26 0.552 . . . . 0.0 109.972 176.113 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.22 -3.64 46.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.596 177.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.482 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 72.5 m-70 -100.8 -1.22 35.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.26 0.552 . . . . 0.0 110.17 178.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.9 mtt -82.05 -31.55 30.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.129 174.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.49 94.15 3.99 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.067 -0.97 . . . . 0.0 108.869 174.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.0 t . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.65 -0.69 . . . . 0.0 110.699 -175.184 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.567 0 N-CA-C 112.33 -0.308 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.643 ' HA ' ' HB2' ' A' ' 18' ' ' ASP . 0.7 OUTLIER -96.61 157.74 15.76 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 177.502 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.8 p -129.32 -159.47 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 52.5 mtm-85 -82.99 54.94 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.145 0.497 . . . . 0.0 110.463 177.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -151.74 -85.75 0.05 OUTLIER Glycine 0 N--CA 1.444 -0.82 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.749 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.568 ' HB3' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -105.24 110.37 22.71 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.024 0.44 . . . . 0.0 110.119 176.768 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.22 74.63 9.18 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.394 0.616 . . . . 0.0 111.364 -173.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.46 43.59 90.35 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 114.838 -1.074 . . . . 0.0 113.844 175.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.568 HD13 ' HB3' ' A' ' 6' ' ' SER . 4.1 mt -76.69 160.25 4.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 174.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.758 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER 63.05 147.52 0.09 OUTLIER Pre-proline 0 N--CA 1.468 0.427 0 CA-C-O 121.298 0.57 . . . . 0.0 111.849 178.702 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.84 -25.59 79.81 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.661 2.241 . . . . 0.0 112.775 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -130.04 92.81 3.37 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 120.876 0.369 . . . . 0.0 110.983 -177.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.601 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -98.59 158.41 15.62 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.39 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.536 ' SG ' ' HB2' ' A' ' 16' ' ' ASP . 49.4 t -75.24 123.19 88.62 Favored Pre-proline 0 C--N 1.332 -0.178 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 175.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -74.04 -3.51 13.9 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 122.293 1.995 . . . . 0.0 112.104 176.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.536 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -103.92 -33.23 8.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.472 -178.422 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 86.1 m -113.78 -33.17 5.89 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -174.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.643 ' HB2' ' HA ' ' A' ' 2' ' ' SER . 0.0 OUTLIER 83.76 18.85 0.2 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.656 1.182 . . . . 0.0 110.055 -169.464 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.601 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 7.8 mtp85 -61.64 179.03 0.27 Allowed 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 115.003 -0.998 . . . . 0.0 110.057 171.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.758 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -145.84 130.42 17.89 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.802 -0.759 . . . . 0.0 112.548 -177.896 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -136.49 146.84 46.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.007 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.48 -14.74 39.59 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.305 0.574 . . . . 0.0 109.869 178.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.535 ' HB2' ' HB2' ' A' ' 26' ' ' HIS . 57.1 mtp85 -114.89 134.02 55.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.735 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -28.42 69.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.453 173.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.406 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -66.04 -49.16 68.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.575 177.011 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.535 ' HB2' ' HB2' ' A' ' 23' ' ' ARG . 0.4 OUTLIER -64.44 -33.72 76.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.632 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.574 HD11 ' HD2' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.86 -61.25 2.49 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.612 172.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.491 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -55.98 -41.95 75.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.246 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 25' ' ' ASP . 58.6 mt -54.31 -42.26 69.92 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.773 0.321 . . . . 0.0 111.1 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -72.58 -40.65 66.43 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.245 0.545 . . . . 0.0 109.948 175.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.574 ' HD2' HD11 ' A' ' 27' ' ' LEU . 36.2 mtp180 -74.73 1.63 11.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.617 -175.055 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.491 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -68.92 -25.56 64.64 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 172.866 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.615 ' HA ' HD11 ' A' ' 36' ' ' LEU . 3.8 mmm180 -75.92 -16.63 59.99 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.49 176.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.664 ' HA ' HG21 ' A' ' 37' ' ' VAL . 69.9 m-70 -86.4 -5.19 59.22 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.5 179.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 90.4 mtp -82.94 -6.76 59.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.28 176.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.615 HD11 ' HA ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -126.38 53.54 1.63 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 176.01 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.664 HG21 ' HA ' ' A' ' 34' ' ' HIS . 2.4 t . . . . . 0 C--O 1.249 1.035 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.682 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.587 0 N-CA-C 112.045 -0.422 . . . . 0.0 112.045 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.33 170.77 11.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.692 0.282 . . . . 0.0 111.224 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.612 ' HA ' ' CB ' ' A' ' 18' ' ' ASP . 10.0 m 80.24 97.01 0.05 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.756 -176.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.25 -59.25 2.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.073 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 162.04 33.52 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.777 177.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -93.48 -127.86 0.11 Allowed 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 173.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -121.48 76.14 1.23 Allowed 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 120.897 0.379 . . . . 0.0 110.665 175.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.539 ' HA2' ' O ' ' A' ' 19' ' ' ARG . . . -77.41 54.12 3.6 Favored Glycine 0 C--N 1.334 0.457 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.396 -178.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.501 ' O ' ' HB3' ' A' ' 20' ' ' SER . 0.7 OUTLIER -77.79 170.6 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 115.167 -0.517 . . . . 0.0 110.143 178.04 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.18 147.43 0.12 Allowed Pre-proline 0 CA--C 1.53 0.18 0 CA-C-O 121.101 0.477 . . . . 0.0 111.345 177.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.15 -19.93 59.1 Favored 'Trans proline' 0 CA--C 1.528 0.193 0 C-N-CA 122.989 2.459 . . . . 0.0 112.623 -177.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.443 ' HB2' ' O ' ' A' ' 21' ' ' PHE . 37.6 m-85 -117.54 84.45 2.16 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.218 0.532 . . . . 0.0 111.193 -178.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.558 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -101.05 156.9 17.15 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 175.667 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.7 t -68.52 128.35 93.04 Favored Pre-proline 0 N--CA 1.451 -0.389 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 175.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -73.07 -5.56 17.41 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.505 2.137 . . . . 0.0 112.127 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.04 -32.68 7.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.789 0.328 . . . . 0.0 110.941 -178.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.7 m -110.6 -32.71 6.8 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -173.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.612 ' CB ' ' HA ' ' A' ' 3' ' ' THR . 0.0 OUTLIER 70.28 50.99 0.39 Allowed 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 123.63 1.681 . . . . 0.0 109.5 -171.513 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.558 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 2.3 mtp85 -85.4 -155.11 0.21 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 113.096 -1.866 . . . . 0.0 109.327 172.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.501 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -153.6 123.91 7.04 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.167 -0.613 . . . . 0.0 112.415 179.07 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.443 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 13.7 m-85 -137.26 131.85 32.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.736 178.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.84 -22.88 58.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.111 0.482 . . . . 0.0 109.893 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.1 mtp85 -116.3 137.33 52.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.804 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.62 -25.49 67.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.968 174.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -39.27 87.43 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.58 176.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.638 ' HA ' HD11 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -73.19 -32.36 64.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.672 178.136 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.407 HD11 ' CD1' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -55.14 -57.7 10.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.798 173.539 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.52 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -55.11 -37.81 67.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.779 -178.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.638 HD11 ' HA ' ' A' ' 26' ' ' HIS . 23.2 mt -57.46 -41.47 80.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.671 0.272 . . . . 0.0 111.169 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -75.48 -39.79 58.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.13 0.49 . . . . 0.0 110.234 175.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.501 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 16.8 mtp-105 -71.01 -1.15 11.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.922 -173.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.52 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 0.7 OUTLIER -62.15 -30.85 71.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.127 0.489 . . . . 0.0 110.055 174.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -18.21 62.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.16 177.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.501 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 95.1 m-70 -94.71 -2.61 50.81 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.811 177.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.5 mtp -108.43 -24.22 11.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.197 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.7 mt -108.19 53.27 0.69 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 174.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.694 -177.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.456 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.13 178.98 4.41 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 122.931 -0.158 . . . . 0.0 110.777 -178.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.6 m -39.83 138.91 0.7 Allowed 'General case' 0 C--O 1.235 0.332 0 O-C-N 124.012 0.82 . . . . 0.0 112.828 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -143.28 44.04 1.54 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.829 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 128.3 -24.61 4.98 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.754 -0.736 . . . . 0.0 113.031 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.447 ' HB3' HD12 ' A' ' 9' ' ' ILE . 0.9 OUTLIER -133.84 119.1 18.76 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.441 -0.446 . . . . 0.0 111.214 -176.226 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.02 74.21 10.27 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.916 0.389 . . . . 0.0 111.816 -175.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.662 ' HA2' ' NE2' ' A' ' 13' ' ' GLN . . . 59.01 38.98 93.69 Favored Glycine 0 CA--C 1.508 -0.379 0 CA-C-N 115.831 -0.622 . . . . 0.0 113.068 176.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.491 ' O ' ' HG3' ' A' ' 13' ' ' GLN . 5.0 mt -78.42 162.88 3.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-N 115.571 -0.315 . . . . 0.0 110.448 177.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.564 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.1 OUTLIER 67.61 146.06 0.11 Allowed Pre-proline 0 N--CA 1.47 0.553 0 CA-C-O 121.253 0.549 . . . . 0.0 111.961 177.529 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -74.31 -12.68 23.1 Favored 'Trans proline' 0 CA--C 1.529 0.235 0 C-N-CA 122.668 2.245 . . . . 0.0 112.716 -177.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -124.53 90.17 3.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.868 0.366 . . . . 0.0 110.38 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.727 ' HG2' ' HA ' ' A' ' 20' ' ' SER . 0.3 OUTLIER -111.04 161.91 15.41 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 120.889 0.375 . . . . 0.0 111.257 -178.869 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.418 ' HB3' ' H ' ' A' ' 19' ' ' ARG . 44.3 t -75.13 122.01 86.49 Favored Pre-proline 0 N--CA 1.446 -0.644 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.312 173.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.33 -2.89 12.38 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.436 2.091 . . . . 0.0 112.088 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -110.85 -32.27 6.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.908 -177.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.581 ' HB2' ' HG3' ' A' ' 19' ' ' ARG . 59.3 m -112.06 -32.24 6.63 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -175.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' A' ' 17' ' ' CYS . 0.2 OUTLIER 81.32 34.03 0.11 Allowed 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.862 0.839 . . . . 0.0 108.749 -166.611 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.621 HH21 ' HB2' ' A' ' 30' ' ' HIS . 3.7 mtm180 -83.21 142.6 31.05 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 114.512 -1.222 . . . . 0.0 107.902 171.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.727 ' HA ' ' HG2' ' A' ' 13' ' ' GLN . 0.3 OUTLIER -117.71 138.43 52.02 Favored 'General case' 0 C--N 1.311 -1.084 0 C-N-CA 119.9 -0.72 . . . . 0.0 112.941 -172.278 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -137.55 141.05 41.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.421 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.26 -21.31 29.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.338 0.59 . . . . 0.0 109.926 177.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.7 mtm-85 -111.12 131.25 55.24 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.455 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -25.73 67.53 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.457 -1.247 . . . . 0.0 111.079 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -72.82 -38.02 67.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.531 177.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.91 -31.41 71.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.739 179.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.418 ' O ' ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.4 -62.93 1.35 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.056 174.625 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.461 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -55.45 -38.65 69.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.256 -0.883 . . . . 0.0 111.702 -178.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.512 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 84.9 mt -55.36 -45.49 76.49 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.915 0.388 . . . . 0.0 111.239 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.621 ' HB2' HH21 ' A' ' 19' ' ' ARG . 13.1 t60 -72.95 -38.96 66.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.289 0.566 . . . . 0.0 110.271 177.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.621 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 21.6 mtp-105 -73.12 7.05 2.33 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.519 -173.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.512 ' HE2' ' HA ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -68.84 -26.31 65.09 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 174.233 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.425 ' HD2' ' HA ' ' A' ' 33' ' ' ARG . 3.1 mmm-85 -82.19 6.32 16.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.335 175.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.621 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 88.8 m-70 -116.47 29.96 7.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.883 178.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.6 mtt -106.32 -40.56 5.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.686 -177.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.98 52.42 1.3 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 177.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.149 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.651 -178.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.648 0 N-CA-C 111.897 -0.481 . . . . 0.0 111.897 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.407 ' HA ' ' OD2' ' A' ' 18' ' ' ASP . 0.9 OUTLIER -79.03 147.38 32.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.472 0.177 . . . . 0.0 110.848 -179.064 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.412 ' H ' ' CG ' ' A' ' 18' ' ' ASP . 1.4 m 59.36 49.56 8.71 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.392 0.615 . . . . 0.0 110.906 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.56 135.23 37.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.986 -179.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.34 -97.14 0.13 Allowed Glycine 0 C--N 1.329 0.193 0 CA-C-N 116.115 -0.493 . . . . 0.0 113.139 177.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.26 11.1 4.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.368 0.604 . . . . 0.0 110.001 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.91 96.15 7.65 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.995 175.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 135.4 41.92 0.13 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.162 -0.542 . . . . 0.0 112.098 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.52 HG23 ' H ' ' A' ' 10' ' ' LYS . 1.5 mt -76.68 164.36 3.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 176.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.679 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER 71.4 147.13 0.12 Allowed Pre-proline 0 N--CA 1.467 0.386 0 CA-C-O 121.145 0.498 . . . . 0.0 111.36 179.093 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -62.57 -18.41 63.47 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.812 2.341 . . . . 0.0 112.387 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.517 ' HB3' HD22 ' A' ' 27' ' ' LEU . 31.9 m-85 -122.82 78.87 1.58 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.095 -179.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -94.6 156.37 16.46 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 175.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.477 ' HA ' HD12 ' A' ' 27' ' ' LEU . 43.9 t -67.2 125.81 91.57 Favored Pre-proline 0 C--N 1.327 -0.399 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.583 177.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -71.95 -3.27 12.9 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.295 1.997 . . . . 0.0 112.336 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -112.72 -33.04 6.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.743 0.306 . . . . 0.0 111.411 -179.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 61.1 m -107.94 -31.93 7.78 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -177.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.412 ' CG ' ' H ' ' A' ' 3' ' ' THR . 1.0 OUTLIER 75.47 49.12 0.08 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.946 -173.031 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.499 ' HB3' ' H ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -84.59 -148.02 0.1 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.043 177.873 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.679 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -157.46 122.29 4.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.094 0.473 . . . . 0.0 111.59 177.926 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -137.8 134.59 35.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.097 178.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.38 -20.84 33.48 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.301 0.572 . . . . 0.0 109.759 -179.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.89 135.26 50.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.236 177.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -28.35 69.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.336 0.589 . . . . 0.0 109.629 173.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.5 -47.43 81.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.36 175.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.604 ' HA ' HD11 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -59.71 -38.37 81.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.754 178.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.517 HD22 ' HB3' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -55.29 -60.38 3.47 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.984 174.817 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.35 -37.15 67.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.996 -177.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.604 HD11 ' HA ' ' A' ' 26' ' ' HIS . 78.5 mt -58.59 -44.84 89.98 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.944 0.402 . . . . 0.0 111.259 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -71.57 -36.41 70.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.27 0.557 . . . . 0.0 110.018 178.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.503 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 15.0 mtp-105 -74.99 2.33 10.74 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.763 -174.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -39.17 81.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.782 179.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 33' ' ' ARG . 1.4 ttp-105 -84.1 6.83 20.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.621 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.503 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 31.4 m-70 -93.89 -0.27 55.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.1 0.476 . . . . 0.0 110.343 177.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.1 mtp -74.79 -54.72 6.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.397 174.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.51 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -142.02 106.08 4.76 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.023 176.695 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.7 p . . . . . 0 C--O 1.253 1.239 0 CA-C-O 118.545 -0.741 . . . . 0.0 110.516 -175.906 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.834 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.25 115.58 6.21 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 117.084 0.442 . . . . 0.0 110.253 178.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.0 p -72.74 3.35 5.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.039 0.447 . . . . 0.0 111.362 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.06 45.2 24.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.196 -179.051 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -174.12 -86.23 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.299 -178.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.433 ' HB2' ' OG ' ' A' ' 20' ' ' SER . 4.5 p -70.8 100.61 1.94 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 176.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.68 73.41 10.26 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -175.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.0 45.01 51.16 Favored Glycine 0 C--N 1.334 0.431 0 CA-C-N 116.002 -0.544 . . . . 0.0 113.113 177.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.625 ' O ' ' HB3' ' A' ' 20' ' ' SER . 1.1 mt -77.22 166.88 2.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 177.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.474 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER 69.03 148.13 0.12 Allowed Pre-proline 0 N--CA 1.465 0.3 0 CA-C-O 121.144 0.497 . . . . 0.0 111.586 177.223 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.69 -10.43 22.22 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -128.95 90.6 3.06 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.029 0.442 . . . . 0.0 110.435 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.67 153.23 23.72 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.101 179.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.1 t -68.02 128.41 93.3 Favored Pre-proline 0 N--CA 1.453 -0.279 0 C-N-CA 120.554 -0.458 . . . . 0.0 109.94 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -76.07 -5.15 16.0 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.403 2.069 . . . . 0.0 112.442 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -108.24 -40.4 5.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.846 0.355 . . . . 0.0 110.87 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.429 ' HB2' ' CG ' ' A' ' 19' ' ' ARG . 18.0 m -106.33 -32.89 7.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.241 -176.151 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 84.23 24.43 0.11 Allowed 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.956 1.41 . . . . 0.0 110.879 -175.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.429 ' CG ' ' HB2' ' A' ' 17' ' ' CYS . 5.5 mtm180 -64.17 171.24 3.11 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 114.926 -1.033 . . . . 0.0 110.037 170.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.625 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -128.64 139.01 52.47 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -178.126 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -142.72 131.8 23.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.124 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.51 -34.1 71.94 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.165 0.507 . . . . 0.0 110.099 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 23' ' ' ARG . 5.5 mtm-85 -106.9 140.24 40.03 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.381 178.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.17 -26.44 68.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.574 0.702 . . . . 0.0 109.279 174.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.498 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -65.17 -39.72 93.31 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.643 176.013 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.44 ' HA ' HD13 ' A' ' 29' ' ' LEU . 1.9 m170 -68.74 -36.43 78.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.434 177.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.77 -59.35 4.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.083 175.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.571 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -55.42 -37.25 67.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.834 -177.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 25' ' ' ASP . 95.0 mt -55.13 -45.13 75.56 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.95 0.405 . . . . 0.0 110.739 178.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.403 ' HB2' HH21 ' A' ' 19' ' ' ARG . 14.3 t60 -75.62 -35.84 60.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.256 0.55 . . . . 0.0 110.269 177.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.456 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 12.8 mtp-105 -75.71 0.83 16.41 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.232 -173.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.571 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 3.3 mptt -61.42 -31.39 71.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.426 178.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -85.5 6.08 28.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.964 178.267 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.456 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 67.1 m-70 -109.54 7.18 24.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.074 0.464 . . . . 0.0 110.219 177.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.469 ' C ' ' HG ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -76.02 -58.21 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.656 -178.148 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.469 ' HG ' ' C ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -149.16 53.47 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 178.38 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.2 t . . . . . 0 C--O 1.248 1.025 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.826 -177.829 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.723 0 N-CA-C 111.969 -0.452 . . . . 0.0 111.969 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.476 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 0.7 OUTLIER -85.25 106.91 17.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.773 0.321 . . . . 0.0 110.559 -179.734 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.43 ' O ' ' HB2' ' A' ' 4' ' ' ARG . 0.8 OUTLIER 56.06 -135.46 1.27 Allowed 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.404 179.831 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 3' ' ' THR . 4.9 mtp180 71.27 79.53 0.16 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.382 0.61 . . . . 0.0 110.275 -176.219 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.16 -90.76 0.62 Allowed Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.469 -176.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.62 144.03 26.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.888 0.375 . . . . 0.0 110.351 176.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.4 p -85.39 95.24 9.18 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.087 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.02 75.37 1.2 Allowed Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.965 -176.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.435 HG23 ' H ' ' A' ' 10' ' ' LYS . 1.2 mt -72.52 161.62 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.566 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER 66.21 149.29 0.12 Allowed Pre-proline 0 CA--C 1.535 0.373 0 CA-C-O 121.083 0.468 . . . . 0.0 111.272 179.334 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -58.56 -21.26 53.89 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.905 2.403 . . . . 0.0 113.178 -175.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -127.26 91.08 3.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.008 0.433 . . . . 0.0 111.13 -178.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.67 154.29 18.72 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.103 178.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.3 t -70.11 132.26 88.36 Favored Pre-proline 0 C--N 1.329 -0.32 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.012 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.01 -6.11 16.41 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.61 2.207 . . . . 0.0 112.897 178.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -112.16 -33.21 6.3 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.843 0.354 . . . . 0.0 111.219 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.5 m -107.11 -32.25 7.91 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -177.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.7 t70 79.07 40.66 0.1 Allowed 'General case' 0 N--CA 1.469 0.485 0 O-C-N 123.896 0.748 . . . . 0.0 110.233 -175.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.525 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . 3.8 mtm180 -76.71 -158.75 0.11 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.284 178.185 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.566 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -150.7 120.61 7.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.345 0.593 . . . . 0.0 112.227 178.776 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.525 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 14.9 m-85 -133.96 141.79 47.43 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.694 178.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.03 -21.14 27.91 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.484 0.659 . . . . 0.0 109.512 178.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.5 mtp85 -117.08 135.01 54.05 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.518 178.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -27.82 69.06 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 114.757 -1.11 . . . . 0.0 109.783 175.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.581 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -62.51 -42.65 99.65 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.29 175.051 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.31 -35.25 75.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.735 177.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.76 -58.81 6.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.56 173.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.4 ' O ' ' HD2' ' A' ' 32' ' ' LYS . . . -55.6 -36.31 66.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.736 -179.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 25' ' ' ASP . 95.7 mt -58.68 -42.13 87.79 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.924 0.393 . . . . 0.0 110.73 178.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.407 ' HB2' HH21 ' A' ' 19' ' ' ARG . 12.4 t60 -74.97 -35.54 62.07 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.246 0.546 . . . . 0.0 110.212 176.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.551 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 22.2 mtp-105 -78.37 3.27 16.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.262 -172.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.4 ' HD2' ' O ' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -57.58 -41.76 81.76 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.126 0.489 . . . . 0.0 110.824 178.034 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.86 ' HA ' HD11 ' A' ' 36' ' ' LEU . 4.3 mtm180 -71.96 -14.45 61.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.194 -179.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.551 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 70.5 m-70 -84.51 -9.81 58.01 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.295 178.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 30.1 mtt -95.31 0.56 53.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.838 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.86 HD11 ' HA ' ' A' ' 33' ' ' ARG . 2.0 mt -108.75 70.34 0.74 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.183 177.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.248 1.009 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.596 -175.766 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.785 0 N-CA-C 112.121 -0.392 . . . . 0.0 112.121 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.38 150.0 42.1 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.045 0.45 . . . . 0.0 111.089 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.686 ' HB ' ' HB ' ' A' ' 7' ' ' THR . 0.2 OUTLIER -127.24 165.93 18.71 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.674 -177.703 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.15 -169.21 1.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.528 0.204 . . . . 0.0 110.458 177.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 71.76 -99.83 0.87 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.279 -0.486 . . . . 0.0 113.209 175.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.47 2.01 3.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.536 0.684 . . . . 0.0 110.265 -177.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.686 ' HB ' ' HB ' ' A' ' 3' ' ' THR . 0.0 OUTLIER -90.99 100.28 13.17 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.627 -1.17 . . . . 0.0 109.762 175.403 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.595 ' HA2' ' NE2' ' A' ' 13' ' ' GLN . . . 125.74 65.03 0.17 Allowed Glycine 0 N--CA 1.442 -0.913 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.836 -172.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.551 ' O ' ' HB3' ' A' ' 20' ' ' SER . 1.7 mt -77.33 175.27 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 122.198 0.199 . . . . 0.0 110.537 177.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.604 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 0.4 OUTLIER 69.21 144.87 0.1 Allowed Pre-proline 0 N--CA 1.454 -0.241 0 CA-C-O 121.924 0.868 . . . . 0.0 112.754 174.666 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 31.2 Cg_exo -61.16 -32.56 91.11 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 123.758 2.972 . . . . 0.0 112.268 -178.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -117.53 83.77 2.05 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.606 0.717 . . . . 0.0 110.808 -177.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.755 ' NE2' ' HA ' ' A' ' 18' ' ' ASP . 0.7 OUTLIER -83.65 152.74 24.62 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.4 179.542 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.456 ' SG ' ' HB2' ' A' ' 16' ' ' ASP . 37.7 t -77.19 117.45 65.3 Favored Pre-proline 0 N--CA 1.451 -0.4 0 C-N-CA 119.37 -0.932 . . . . 0.0 109.217 165.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -72.98 -2.19 11.62 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.234 1.956 . . . . 0.0 111.508 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.456 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 1.7 m-20 -105.45 -18.1 14.22 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.925 -176.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.3 m -127.49 -33.03 2.37 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -170.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.755 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 1.8 t70 81.87 15.74 0.48 Allowed 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 -164.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.751 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 5.7 mtp85 -71.49 166.97 20.65 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 114.587 -1.188 . . . . 0.0 108.309 168.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.604 ' HB2' ' HB2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -144.75 135.12 24.32 Favored 'General case' 0 C--N 1.314 -0.939 0 C-N-CA 119.905 -0.718 . . . . 0.0 112.261 -174.197 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -134.97 146.01 48.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.447 -179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.09 -18.19 31.08 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.415 0.626 . . . . 0.0 109.413 178.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -118.23 137.5 52.98 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.754 178.277 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.41 -26.42 67.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.985 174.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -47.9 80.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.744 178.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.12 -34.55 78.32 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.528 178.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.466 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -55.89 -62.17 1.88 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.147 174.521 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.446 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -56.05 -38.18 70.24 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.814 -178.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.424 ' O ' ' HB2' ' A' ' 32' ' ' LYS . 55.6 mt -56.98 -50.01 73.98 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 120.892 0.377 . . . . 0.0 110.705 178.208 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -67.08 -37.41 83.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.562 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 31' ' ' ARG . 14.7 mtp-105 -73.14 -1.24 16.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.643 -174.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.446 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -63.06 -28.19 69.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.104 0.478 . . . . 0.0 110.224 174.537 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -80.62 -6.27 58.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.909 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -95.21 -0.83 52.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.158 0.504 . . . . 0.0 110.15 179.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.0 mtt -82.2 -16.14 50.71 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 171.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.8 mt -122.34 54.62 1.18 Allowed 'General case' 0 C--O 1.234 0.289 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.815 172.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 C--O 1.249 1.068 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.446 -176.975 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 17' ' ' CYS . . . . . . . . 0 N--CA 1.484 1.871 0 N-CA-C 112.168 -0.373 . . . . 0.0 112.168 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m 58.07 65.19 1.34 Allowed 'General case' 0 C--O 1.235 0.321 0 C-N-CA 122.993 0.517 . . . . 0.0 111.6 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.49 65.46 1.74 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.596 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 4' ' ' ARG . 3.7 mpt_? 59.44 -106.65 0.3 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.766 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.4 ' H ' ' HB3' ' A' ' 4' ' ' ARG . . . -117.08 -44.58 0.57 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.295 -178.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.94 79.69 8.4 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.158 0.504 . . . . 0.0 109.901 177.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.84 74.92 10.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.301 -174.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.599 ' HA2' ' HG2' ' A' ' 13' ' ' GLN . . . 130.61 54.09 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.614 -0.803 . . . . 0.0 113.05 178.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 mt -77.84 164.43 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 174.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.734 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 8.8 mttt 64.84 147.81 0.1 Allowed Pre-proline 0 N--CA 1.471 0.624 0 CA-C-O 121.37 0.605 . . . . 0.0 112.361 173.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -62.13 -15.02 41.33 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 123.033 2.489 . . . . 0.0 113.8 -175.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.477 ' HB2' ' O ' ' A' ' 21' ' ' PHE . 47.5 m-85 -124.87 89.83 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.971 0.415 . . . . 0.0 110.966 -178.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.599 ' HG2' ' HA2' ' A' ' 8' ' ' GLY . 1.6 mt-30 -95.57 166.78 11.68 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.101 177.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.6 t -75.79 128.6 83.22 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 114.955 -1.02 . . . . 0.0 109.022 167.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -76.37 -10.33 19.02 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 122.174 1.916 . . . . 0.0 112.49 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -104.8 -39.86 6.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.971 0.415 . . . . 0.0 110.96 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 18' ' ' ASP . 61.1 m -96.25 -31.94 12.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.936 -0.574 . . . . 0.0 112.297 -175.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 17' ' ' CYS . 0.5 OUTLIER 78.23 30.68 0.41 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.448 -171.353 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -72.55 -168.67 0.46 Allowed 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 114.759 -1.109 . . . . 0.0 109.363 174.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.734 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -150.27 124.03 9.21 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 119.49 -0.884 . . . . 0.0 112.774 -175.385 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.477 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 3.8 m-85 -134.8 132.89 39.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.224 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.41 -24.94 42.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.16 0.505 . . . . 0.0 110.358 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -115.1 132.84 56.47 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.837 176.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -21.04 66.25 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.846 -178.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.418 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 2.7 t70 -64.79 -47.41 78.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.753 173.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.586 ' HA ' HD11 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -58.94 -35.61 73.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.071 177.423 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.66 -61.52 2.3 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 175.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.539 ' O ' ' HD2' ' A' ' 32' ' ' LYS . . . -55.79 -41.01 73.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.534 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.586 HD11 ' HA ' ' A' ' 26' ' ' HIS . 89.6 mt -52.74 -45.39 66.99 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.956 0.408 . . . . 0.0 111.153 179.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -75.01 -37.79 61.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.298 0.57 . . . . 0.0 109.883 177.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.547 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 8.2 mtp-105 -74.48 -4.02 34.22 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.152 -173.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.539 ' HD2' ' O ' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -63.81 -33.71 76.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.116 0.484 . . . . 0.0 109.769 178.03 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.47 -4.17 47.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.109 177.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.547 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 39.8 m-70 -88.54 20.81 3.2 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.199 0.523 . . . . 0.0 110.189 176.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.3 mtt -83.05 -4.85 58.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.548 175.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.45 52.67 1.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 176.115 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.7 t . . . . . 0 C--O 1.247 0.966 0 CA-C-N 114.438 -1.255 . . . . 0.0 111.069 -175.88 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.742 0 N-CA-C 111.599 -0.6 . . . . 0.0 111.599 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.734 ' HA ' ' HB2' ' A' ' 18' ' ' ASP . 0.8 OUTLIER -61.24 124.61 21.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.94 0.37 . . . . 0.0 110.692 179.07 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.552 ' H ' ' HB2' ' A' ' 18' ' ' ASP . 0.2 OUTLIER 60.08 63.5 1.42 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.468 -174.423 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.24 -22.43 62.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.602 -175.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.14 78.51 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.193 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 60.32 -80.07 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 123.855 0.862 . . . . 0.0 112.027 178.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.5 HG23 ' H ' ' A' ' 13' ' ' GLN . 1.0 OUTLIER -136.1 95.62 3.24 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.776 176.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.46 -94.28 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.806 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.4 mt -78.68 158.12 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 173.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.86 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.1 OUTLIER 56.71 148.2 0.05 OUTLIER Pre-proline 0 N--CA 1.472 0.644 0 CA-C-O 121.716 0.77 . . . . 0.0 112.82 175.038 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -63.26 -22.22 72.22 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.508 2.139 . . . . 0.0 112.451 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -132.78 91.91 2.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.711 -178.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.733 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -100.26 160.24 14.49 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 19' ' ' ARG . 43.3 t -73.08 125.96 90.68 Favored Pre-proline 0 C--N 1.328 -0.335 0 C-N-CA 120.143 -0.623 . . . . 0.0 109.673 174.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -77.87 -4.24 14.28 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.541 2.16 . . . . 0.0 112.281 178.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -104.73 -36.42 7.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.951 0.405 . . . . 0.0 110.574 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 79.8 m -103.81 -31.98 9.55 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -175.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.734 ' HB2' ' HA ' ' A' ' 2' ' ' SER . 5.0 t70 80.95 37.38 0.09 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.169 -166.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.733 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 0.5 OUTLIER -79.21 -159.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.424 175.927 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.86 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -165.44 126.04 1.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.765 178.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -134.62 148.37 50.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.956 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -27.81 41.49 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.941 0.401 . . . . 0.0 110.731 -179.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -120.44 135.2 55.12 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-O 121.634 0.73 . . . . 0.0 110.84 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -25.53 68.21 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 114.26 -1.336 . . . . 0.0 110.678 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.515 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -64.13 -41.63 97.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.178 175.906 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.46 ' HA ' HD13 ' A' ' 29' ' ' LEU . 1.9 m170 -68.11 -34.11 75.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.778 178.46 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.55 -59.5 4.75 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.925 173.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.459 ' O ' ' HD2' ' A' ' 32' ' ' LYS . . . -55.1 -37.77 67.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.162 -0.927 . . . . 0.0 111.602 -178.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 25' ' ' ASP . 95.7 mt -58.7 -44.44 90.31 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.882 0.373 . . . . 0.0 110.898 179.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -72.54 -37.13 68.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.235 0.54 . . . . 0.0 110.16 177.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 31' ' ' ARG . 24.0 mtp-105 -71.35 -5.8 35.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.53 -175.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.495 ' HG3' ' HE1' ' A' ' 35' ' ' MET . 0.0 OUTLIER -62.16 -31.2 71.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.317 0.579 . . . . 0.0 109.908 175.038 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -15.9 61.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.129 178.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 -85.74 1.79 48.12 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.041 -178.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.495 ' HE1' ' HG3' ' A' ' 32' ' ' LYS . 57.6 mtt -78.41 -9.02 59.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.389 172.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.82 52.35 1.94 Allowed 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.191 -0.913 . . . . 0.0 108.608 174.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 t . . . . . 0 C--O 1.252 1.199 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.784 -179.562 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.893 0 N-CA-C 112.002 -0.439 . . . . 0.0 112.002 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m 57.59 56.28 5.04 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.068 0.461 . . . . 0.0 111.086 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.525 ' HB ' ' O ' ' A' ' 7' ' ' THR . 0.2 OUTLIER -84.47 -1.12 55.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.549 -177.358 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.91 89.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.891 -1.05 . . . . 0.0 112.271 176.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 157.73 -125.77 1.61 Allowed Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.11 -39.17 55.79 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 172.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.525 ' O ' ' HB ' ' A' ' 3' ' ' THR . 0.0 OUTLIER -95.3 96.31 9.07 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 113.1 -1.864 . . . . 0.0 107.75 164.258 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.523 ' HA2' ' CD ' ' A' ' 13' ' ' GLN . . . 128.75 47.05 0.17 Allowed Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.444 -172.065 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.632 ' O ' ' HG3' ' A' ' 13' ' ' GLN . 0.8 OUTLIER -77.87 162.76 4.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 175.41 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.49 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER 64.35 147.12 0.1 OUTLIER Pre-proline 0 N--CA 1.468 0.464 0 CA-C-O 121.536 0.684 . . . . 0.0 112.308 173.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -67.19 -16.19 48.09 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.61 2.207 . . . . 0.0 112.977 -177.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.588 ' HB3' HD21 ' A' ' 27' ' ' LEU . 51.0 m-85 -128.51 93.2 3.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.968 0.414 . . . . 0.0 110.768 -178.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.643 ' HG2' ' HA ' ' A' ' 20' ' ' SER . 1.1 mt-30 -105.72 160.7 15.01 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.186 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.3 t -72.25 122.88 88.58 Favored Pre-proline 0 N--CA 1.449 -0.519 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 172.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -73.1 -0.78 9.57 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.417 2.078 . . . . 0.0 112.478 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -115.61 -41.05 3.29 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.615 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.0 m -94.58 -33.17 13.13 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -173.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 76.6 24.05 1.04 Allowed 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.622 0.725 . . . . 0.0 109.248 -165.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.531 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 5.1 mtp85 -71.35 157.18 38.53 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 114.292 -1.322 . . . . 0.0 108.139 164.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.643 ' HA ' ' HG2' ' A' ' 13' ' ' GLN . 0.5 OUTLIER -129.67 142.95 50.63 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -175.416 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -141.14 143.2 34.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.154 -178.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.17 -20.35 30.37 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.229 0.538 . . . . 0.0 110.395 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.405 HH21 ' CG ' ' A' ' 25' ' ' ASP . 0.8 OUTLIER -124.49 131.49 53.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.859 177.712 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -22.62 65.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.187 0.518 . . . . 0.0 110.644 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.492 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -62.92 -46.37 88.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.274 175.737 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.612 ' HA ' HD11 ' A' ' 29' ' ' LEU . 1.6 m170 -65.37 -35.78 82.0 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.51 176.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.588 HD21 ' HB3' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -55.46 -60.63 3.15 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.964 174.873 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.567 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -56.07 -38.16 70.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.694 -178.037 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.612 HD11 ' HA ' ' A' ' 26' ' ' HIS . 95.8 mt -55.74 -41.7 74.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.22 0.533 . . . . 0.0 110.622 178.07 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.507 ' HB2' HH21 ' A' ' 19' ' ' ARG . 18.4 t60 -75.18 -41.29 58.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.591 176.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.577 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 37.5 mtp180 -74.42 -8.88 57.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.677 -172.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.596 ' HA ' ' SD ' ' A' ' 35' ' ' MET . 2.3 mptt -61.8 -30.83 71.08 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.255 0.55 . . . . 0.0 109.646 176.169 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -72.34 -17.18 61.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.2 177.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.577 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 72.0 m-70 -82.86 -8.92 59.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.062 0.458 . . . . 0.0 110.613 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.596 ' SD ' ' HA ' ' A' ' 32' ' ' LYS . 5.3 mtp -98.1 -9.11 26.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.951 176.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.08 62.79 1.53 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.711 179.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.545 -0.741 . . . . 0.0 110.764 -177.641 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.755 0 N-CA-C 111.718 -0.553 . . . . 0.0 111.718 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m -129.04 159.67 35.2 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.807 0.337 . . . . 0.0 110.496 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.6 p -85.71 171.34 11.7 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.539 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.5 76.34 10.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.84 0.353 . . . . 0.0 110.393 178.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 158.77 -79.32 0.17 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 121.036 -0.602 . . . . 0.0 111.699 -177.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.87 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 0.5 OUTLIER -77.35 146.12 36.9 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 176.763 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.45 83.58 4.57 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.157 0.504 . . . . 0.0 111.535 -174.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.577 ' HA2' ' O ' ' A' ' 19' ' ' ARG . . . -80.97 60.51 4.66 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.156 -179.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.511 HG22 ' H ' ' A' ' 10' ' ' LYS . 2.4 mt -76.29 169.92 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.511 ' H ' HG22 ' A' ' 9' ' ' ILE . 5.1 mttt 72.37 147.0 0.12 Allowed Pre-proline 0 N--CA 1.467 0.381 0 CA-C-O 121.074 0.464 . . . . 0.0 110.779 -179.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -61.71 -16.71 50.37 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.742 2.295 . . . . 0.0 112.692 -176.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.437 ' O ' ' HD1' ' A' ' 21' ' ' PHE . 52.9 m-85 -120.19 77.58 1.27 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.069 0.461 . . . . 0.0 111.13 -178.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -100.33 156.11 17.42 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 176.325 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.447 ' HA ' HD13 ' A' ' 27' ' ' LEU . 44.8 t -69.16 127.55 92.95 Favored Pre-proline 0 C--N 1.327 -0.382 0 C-N-CA 120.547 -0.461 . . . . 0.0 109.864 178.32 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -73.84 -2.46 12.27 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.328 2.019 . . . . 0.0 112.54 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -113.99 -37.55 4.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.891 0.376 . . . . 0.0 111.206 -179.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 39.1 m -102.6 -31.85 10.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.66 -178.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.87 ' HB3' ' HB2' ' A' ' 6' ' ' SER . 1.3 t0 72.42 52.79 0.17 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.033 -173.111 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.577 ' O ' ' HA2' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -85.14 -154.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.439 176.04 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.446 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -153.12 124.42 7.58 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.254 -0.578 . . . . 0.0 112.098 177.399 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.437 ' HD1' ' O ' ' A' ' 12' ' ' PHE . 3.8 m-85 -138.61 135.51 35.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.009 177.259 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.09 -12.35 50.32 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.4 0.619 . . . . 0.0 109.823 178.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.624 ' HB2' ' HB2' ' A' ' 26' ' ' HIS . 7.0 mtm-85 -110.83 131.52 54.98 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.062 -179.15 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -26.33 68.56 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.254 -1.339 . . . . 0.0 111.196 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -81.34 -32.74 32.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.511 178.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.624 ' HB2' ' HB2' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -62.84 -36.54 83.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.638 178.702 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 14' ' ' CYS . 0.4 OUTLIER -55.63 -60.82 2.9 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.257 0.551 . . . . 0.0 109.817 174.33 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.488 ' O ' ' HD2' ' A' ' 32' ' ' LYS . . . -55.12 -37.25 66.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.876 -1.056 . . . . 0.0 111.812 -178.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.427 ' HA ' HD23 ' A' ' 29' ' ' LEU . 60.0 mt -54.74 -49.8 69.93 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 123.124 0.265 . . . . 0.0 111.225 178.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -70.64 -36.6 73.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.264 0.554 . . . . 0.0 110.189 177.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.473 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 15.7 mtp-105 -74.71 -4.4 37.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.571 -174.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.488 ' HD2' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -62.95 -27.82 69.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.901 0.382 . . . . 0.0 110.023 176.721 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.699 ' HA ' HD12 ' A' ' 36' ' ' LEU . 15.7 mtp85 -78.88 -11.71 60.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.791 177.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.473 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 87.7 m-70 -94.78 -5.48 45.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.906 176.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 45.4 mtt -93.41 19.98 7.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.095 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.699 HD12 ' HA ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -144.76 52.02 1.24 Allowed 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.269 -0.878 . . . . 0.0 108.925 176.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.6 t . . . . . 0 C--O 1.249 1.041 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.445 -178.421 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 111.891 -0.483 . . . . 0.0 111.891 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.647 ' HA ' ' O ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -62.61 131.66 49.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.728 0.299 . . . . 0.0 111.352 -177.796 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.465 ' HA ' ' HB2' ' A' ' 18' ' ' ASP . 0.2 OUTLIER 54.53 39.89 31.44 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.138 179.044 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -25.89 59.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.738 0.304 . . . . 0.0 110.648 178.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.66 -30.86 7.77 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.399 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m 53.24 35.41 19.99 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.123 0.487 . . . . 0.0 111.361 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.93 73.79 1.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.008 -176.355 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.67 ' HA2' ' HG2' ' A' ' 13' ' ' GLN . . . -79.22 42.71 2.39 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 121.111 -0.566 . . . . 0.0 112.808 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.655 ' O ' ' HB3' ' A' ' 20' ' ' SER . 1.8 mt -78.25 164.77 3.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.135 -0.533 . . . . 0.0 109.796 174.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.426 ' H ' HG21 ' A' ' 9' ' ' ILE . 1.2 mttm 67.06 147.98 0.11 Allowed Pre-proline 0 N--CA 1.466 0.348 0 CA-C-O 121.176 0.512 . . . . 0.0 111.898 174.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -63.66 -17.63 60.74 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 122.582 2.188 . . . . 0.0 113.263 -175.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.644 ' HB3' HD21 ' A' ' 27' ' ' LEU . 42.2 m-85 -126.1 92.55 3.6 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.66 0.267 . . . . 0.0 110.851 -177.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.67 ' HG2' ' HA2' ' A' ' 8' ' ' GLY . 1.7 mp0 -95.6 169.4 10.06 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 121.034 -0.266 . . . . 0.0 110.88 177.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.495 ' HB3' ' H ' ' A' ' 19' ' ' ARG . 52.0 t -76.87 123.96 87.5 Favored Pre-proline 0 C--N 1.318 -0.783 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.762 166.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.64 5.03 5.51 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.405 2.07 . . . . 0.0 112.036 176.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.647 ' O ' ' HA ' ' A' ' 2' ' ' SER . 0.9 OUTLIER -114.2 -40.95 3.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.132 0.491 . . . . 0.0 110.845 -178.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 59.0 m -104.23 -31.35 9.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.346 -175.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.465 ' HB2' ' HA ' ' A' ' 3' ' ' THR . 0.1 OUTLIER 78.63 43.25 0.08 Allowed 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -166.759 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.555 HH21 ' HB2' ' A' ' 30' ' ' HIS . 7.2 mtm180 -80.7 -174.41 4.71 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 171.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.655 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -147.1 129.28 15.62 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 119.701 -0.8 . . . . 0.0 112.222 178.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.422 ' O ' ' HB3' ' A' ' 10' ' ' LYS . 28.6 m-85 -133.95 139.12 45.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.375 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.11 -25.65 31.77 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.465 0.65 . . . . 0.0 109.717 177.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.1 mtp85 -111.83 132.15 54.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.563 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.28 -26.81 68.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.253 177.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -68.41 -40.84 81.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.158 177.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.615 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -65.13 -34.68 78.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.718 177.415 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.644 HD21 ' HB3' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -55.27 -62.23 1.81 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.807 175.155 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.603 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -56.22 -35.7 67.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.793 -177.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' A' ' 26' ' ' HIS . 51.5 mt -56.19 -45.16 79.91 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.891 0.377 . . . . 0.0 110.963 178.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.555 ' HB2' HH21 ' A' ' 19' ' ' ARG . 20.5 t60 -75.8 -37.72 58.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.424 176.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 31' ' ' ARG . 20.0 mtp-105 -72.73 -4.15 29.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.348 -175.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.603 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -65.23 -27.18 68.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.964 0.412 . . . . 0.0 110.018 177.349 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -77.07 -8.01 56.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.883 175.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -101.7 1.97 38.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.185 0.517 . . . . 0.0 109.926 178.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.1 mmt -88.29 -23.13 23.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.147 178.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.87 88.99 2.86 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 177.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.0 t . . . . . 0 C--O 1.246 0.905 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.249 -176.284 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' A' ' 14' ' ' CYS . . . . . . . . 0 N--CA 1.483 1.832 0 N-CA-C 111.546 -0.622 . . . . 0.0 111.546 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.7 ' HA ' HG22 ' A' ' 7' ' ' THR . 15.3 m 53.85 49.42 19.13 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.614 0.721 . . . . 0.0 110.389 -177.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.685 ' HB ' ' HB2' ' A' ' 6' ' ' SER . 0.0 OUTLIER -80.97 37.33 0.43 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.716 -174.217 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.67 68.95 0.78 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.529 176.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 93.22 14.58 53.93 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.147 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.685 ' HB2' ' HB ' ' A' ' 3' ' ' THR . 12.6 m -133.02 36.55 3.46 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.429 0.633 . . . . 0.0 109.956 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.7 HG22 ' HA ' ' A' ' 2' ' ' SER . 0.0 OUTLIER -81.28 96.97 7.45 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.329 177.265 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.29 -94.45 0.01 OUTLIER Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 114.541 -1.209 . . . . 0.0 113.725 -170.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.1 mt -79.31 157.82 4.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.363 -175.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.759 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 3.7 mttt 53.88 147.98 0.04 OUTLIER Pre-proline 0 CA--C 1.543 0.705 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 170.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -68.42 -16.58 43.48 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 122.922 2.415 . . . . 0.0 113.208 -177.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -130.18 89.75 2.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.173 0.511 . . . . 0.0 111.036 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.693 ' HG2' ' O ' ' A' ' 19' ' ' ARG . 0.9 OUTLIER -89.63 153.13 20.98 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.086 -178.849 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.41 ' O ' ' HA3' ' A' ' 1' ' ' GLY . 36.8 t -70.73 130.39 88.77 Favored Pre-proline 0 N--CA 1.453 -0.318 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 169.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.519 ' HA ' ' HB2' ' A' ' 2' ' ' SER . 61.3 Cg_endo -74.47 -5.02 16.31 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.471 2.114 . . . . 0.0 112.769 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -115.84 -31.77 5.67 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -177.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 86.4 m -104.02 -32.08 9.39 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -174.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 78.96 14.79 1.11 Allowed 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 -167.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.693 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 11.0 mtp85 -62.69 157.91 19.77 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 113.973 -1.467 . . . . 0.0 108.882 167.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.759 ' HB2' ' HB2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -134.55 136.22 42.87 Favored 'General case' 0 C--N 1.31 -1.125 0 C-N-CA 119.368 -0.933 . . . . 0.0 112.925 -170.759 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.412 ' O ' ' HB3' ' A' ' 10' ' ' LYS . 4.6 m-85 -135.23 146.81 48.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.59 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.77 -11.99 49.42 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.342 0.591 . . . . 0.0 109.93 178.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.7 mtm-85 -124.55 136.29 53.86 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.71 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -29.61 70.7 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-N 114.404 -1.271 . . . . 0.0 109.785 176.009 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -40.24 94.84 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.891 175.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -70.49 -31.2 68.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.691 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.64 -60.78 2.95 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 173.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.482 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -56.05 -41.34 74.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.725 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.9 mt -54.93 -44.31 74.15 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.962 0.41 . . . . 0.0 111.039 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.458 ' HB2' HH21 ' A' ' 19' ' ' ARG . 14.0 t60 -74.49 -38.13 62.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.325 0.583 . . . . 0.0 110.121 177.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.541 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 20.5 mtp-105 -74.24 -3.96 33.12 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.419 -173.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.482 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -65.61 -27.47 68.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.118 0.485 . . . . 0.0 109.726 175.461 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.411 ' HD3' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -74.27 -18.65 60.69 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.644 175.661 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.541 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 92.5 m-70 -87.29 -6.34 58.57 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.025 176.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.7 mmt -87.93 -10.33 50.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.104 178.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.411 HD11 ' HD3' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -121.8 54.3 1.16 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 175.501 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.9 p . . . . . 0 C--O 1.249 1.045 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.248 -175.796 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 mttt . . . . . 0 N--CA 1.471 0.59 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -66.04 -20.53 57.08 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.256 1.971 . . . . 0.0 111.883 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -123.16 81.21 1.85 Allowed 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.754 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.507 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -103.16 159.54 15.45 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.135 179.244 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.474 ' SG ' ' HB2' ' A' ' 16' ' ' ASP . 44.1 t -74.89 121.2 84.74 Favored Pre-proline 0 C--N 1.327 -0.407 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.262 177.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.43 3.73 5.58 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.725 2.283 . . . . 0.0 112.153 176.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.474 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 0.4 OUTLIER -108.9 -29.39 8.64 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.748 -179.565 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.433 ' HB2' ' HG2' ' A' ' 19' ' ' ARG . 83.6 m -117.06 -32.69 4.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.35 -176.216 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.3 t0 79.93 49.6 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.392 -0.822 . . . . 0.0 108.976 -166.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.507 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 6.6 mmm180 -83.78 -154.83 0.16 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.352 177.285 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.11 122.59 2.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.164 0.507 . . . . 0.0 111.46 175.034 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -133.77 136.27 44.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.253 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -18.04 52.09 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.362 0.601 . . . . 0.0 109.743 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -118.84 129.13 55.05 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.773 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -29.57 67.0 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.38 -1.282 . . . . 0.0 111.1 177.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.94 -47.48 80.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.805 178.362 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -31.62 72.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.774 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.472 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.38 -60.41 3.45 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.755 173.64 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.581 ' O ' ' HD2' ' A' ' 32' ' ' LYS . . . -56.12 -36.23 67.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.612 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.45 ' O ' ' HB2' ' A' ' 32' ' ' LYS . 68.1 mt -61.42 -42.88 99.44 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.168 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.487 ' HB2' HH21 ' A' ' 19' ' ' ARG . 10.7 t60 -72.41 -36.33 68.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.307 0.575 . . . . 0.0 109.891 176.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.472 ' HG3' HD12 ' A' ' 27' ' ' LEU . 18.2 mtp-105 -74.67 -2.24 25.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.305 -175.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.581 ' HD2' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -63.46 -26.11 68.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.923 174.336 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -80.78 -7.89 59.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.832 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.465 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 73.4 m-70 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 -178.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.584 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 1.5 mttt . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.28 -20.28 21.41 Favored 'Trans proline' 0 CA--C 1.529 0.266 0 C-N-CA 122.236 1.957 . . . . 0.0 112.403 -176.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -126.5 82.64 2.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.474 -178.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.699 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -113.04 162.63 15.68 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 121.141 -0.224 . . . . 0.0 110.606 -177.839 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.0 t -75.31 123.08 88.52 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.491 176.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -78.82 -1.63 11.76 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.724 2.283 . . . . 0.0 112.533 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -104.24 -42.57 5.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.208 0.528 . . . . 0.0 110.769 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.439 ' HB2' ' HG2' ' A' ' 19' ' ' ARG . 61.8 m -96.42 -32.17 12.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.14 -176.154 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.47 ' HA ' ' OE1' ' A' ' 13' ' ' GLN . 0.7 OUTLIER 81.1 43.58 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.981 0.801 . . . . 0.0 109.637 -171.887 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.699 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 3.7 mtm180 -81.01 -158.38 0.2 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.761 -1.108 . . . . 0.0 108.662 173.174 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.584 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -170.09 125.67 0.79 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.962 0.41 . . . . 0.0 111.612 176.761 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -133.4 152.94 51.96 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.26 -17.79 23.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.145 0.497 . . . . 0.0 110.184 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.8 mtp85 -114.44 129.77 56.67 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.47 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -29.04 70.4 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.562 -1.199 . . . . 0.0 110.444 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -43.45 95.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.103 174.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.731 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -62.84 -35.27 79.39 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.913 179.431 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.493 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -56.1 -60.31 3.66 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.145 0.498 . . . . 0.0 109.962 174.491 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.54 -37.21 67.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.851 -176.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.731 HD12 ' HA ' ' A' ' 26' ' ' HIS . 41.1 mt -54.45 -45.67 73.15 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.857 0.36 . . . . 0.0 110.881 178.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.536 ' HB2' HH21 ' A' ' 19' ' ' ARG . 19.0 t60 -72.6 -39.75 67.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.533 177.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.493 ' HG3' HD12 ' A' ' 27' ' ' LEU . 19.7 mtp-105 -74.24 -0.93 18.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.773 -173.296 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.4 ' HD2' ' HA ' ' A' ' 32' ' ' LYS . 2.6 mmtt -66.79 -26.77 67.11 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.34 -14.22 60.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.525 176.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.458 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 86.6 m-70 . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.741 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.531 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.537 0 CA-C-O 121.67 0.747 . . . . 0.0 112.48 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -60.55 -23.62 75.96 Favored 'Trans proline' 0 CA--C 1.529 0.266 0 C-N-CA 122.193 1.928 . . . . 0.0 112.348 -178.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -131.08 93.52 3.4 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.534 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.664 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 1.8 pt20 -100.0 162.68 12.83 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 177.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.651 ' HB3' ' H ' ' A' ' 19' ' ' ARG . 45.2 t -76.02 128.63 82.71 Favored Pre-proline 0 N--CA 1.449 -0.509 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.012 173.087 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -78.77 -3.63 13.41 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 121.953 1.769 . . . . 0.0 112.009 174.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.431 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 1.6 m-20 -109.61 -40.07 4.96 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.904 0.383 . . . . 0.0 111.161 -176.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.437 ' HB2' ' HG3' ' A' ' 19' ' ' ARG . 80.4 m -94.28 -32.85 13.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.039 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 77.89 39.18 0.17 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.412 -1.267 . . . . 0.0 108.384 -165.173 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.664 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 1.3 mtm-85 -78.49 -160.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.485 -1.234 . . . . 0.0 109.774 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.531 ' HB2' ' HB2' ' A' ' 10' ' ' LYS . 1.5 p -165.32 122.38 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.133 0.492 . . . . 0.0 111.615 178.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.439 ' CZ ' ' HD2' ' A' ' 19' ' ' ARG . 52.8 m-85 -134.41 140.58 46.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.308 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.37 -25.21 46.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.342 0.591 . . . . 0.0 109.645 178.377 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -115.6 132.9 56.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.303 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.63 -26.77 68.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.973 176.407 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.463 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -61.2 -41.72 97.32 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.74 177.832 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.602 ' HA ' HD12 ' A' ' 29' ' ' LEU . 1.2 m170 -70.4 -35.08 73.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.33 177.187 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.496 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.93 -60.57 3.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.078 175.135 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.45 -38.65 69.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.992 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' A' ' 26' ' ' HIS . 69.4 mt -57.69 -49.84 75.17 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 120.839 0.352 . . . . 0.0 111.102 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.41 -30.26 67.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.44 178.177 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.496 ' HG3' HD12 ' A' ' 27' ' ' LEU . 12.4 mtp-105 -74.98 0.75 14.78 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 121.079 -0.249 . . . . 0.0 111.466 -177.4 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -68.27 -25.91 65.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.439 0.637 . . . . 0.0 109.354 170.935 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -77.45 -5.39 49.71 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.415 176.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.458 ' CD2' ' HA ' ' A' ' 31' ' ' ARG . 70.2 m-70 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 121.243 0.544 . . . . 0.0 109.56 176.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.958 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.402 0 CA-C-O 121.488 0.661 . . . . 0.0 112.3 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -65.4 -20.54 61.38 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.359 2.039 . . . . 0.0 111.746 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -128.61 83.82 2.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.276 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.581 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -108.74 161.06 15.46 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 179.646 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.533 ' HA ' HD11 ' A' ' 27' ' ' LEU . 38.0 t -73.15 123.69 89.81 Favored Pre-proline 0 C--N 1.329 -0.285 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.399 178.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.51 3.32 6.92 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.379 2.053 . . . . 0.0 112.341 177.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.515 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 0.5 OUTLIER -109.07 -42.67 4.36 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 120.981 0.42 . . . . 0.0 110.412 -178.761 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.554 ' HB2' ' HG2' ' A' ' 19' ' ' ARG . 38.3 m -102.15 -32.11 10.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.619 -179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.0 t0 77.62 52.21 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.725 0.774 . . . . 0.0 109.963 -172.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.581 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 0.3 OUTLIER -85.96 -146.52 0.11 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.201 175.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.958 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -166.71 123.19 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.784 0.326 . . . . 0.0 111.273 176.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -133.61 138.02 45.75 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.83 -24.64 58.64 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.173 0.511 . . . . 0.0 109.951 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 57.1 mtp85 -112.92 136.47 52.54 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.16 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -26.65 68.22 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.47 -1.241 . . . . 0.0 109.827 176.037 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.691 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -65.39 -40.59 93.65 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.57 175.062 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.12 -35.07 78.96 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.439 177.251 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.533 HD11 ' HA ' ' A' ' 14' ' ' CYS . 0.3 OUTLIER -54.87 -63.63 1.09 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.139 174.916 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.535 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -55.95 -36.95 68.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.74 -177.341 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' A' ' 25' ' ' ASP . 74.0 mt -58.56 -46.48 86.79 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.734 0.302 . . . . 0.0 110.96 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -71.41 -35.93 71.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.091 0.472 . . . . 0.0 110.102 177.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.629 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 16.4 mtp180 -74.18 3.38 7.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.618 -175.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.535 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 1.4 mptp? -61.15 -32.64 72.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.006 0.431 . . . . 0.0 110.577 176.402 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -78.38 -5.08 51.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.816 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.629 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 86.6 m-70 . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.283 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.942 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 3.0 mttt . . . . . 0 CA--C 1.536 0.404 0 CA-C-O 121.238 0.542 . . . . 0.0 111.82 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -61.5 -20.65 69.4 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.823 2.348 . . . . 0.0 113.009 -175.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -130.57 89.24 2.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.094 0.473 . . . . 0.0 111.101 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -101.33 152.41 20.74 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.864 177.443 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.464 ' HA ' HD11 ' A' ' 27' ' ' LEU . 38.0 t -68.36 128.36 93.12 Favored Pre-proline 0 C--N 1.33 -0.242 0 C-N-CA 120.615 -0.434 . . . . 0.0 109.861 178.425 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -78.32 2.07 8.39 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.302 2.001 . . . . 0.0 112.47 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -113.06 -41.76 3.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.122 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 18' ' ' ASP . 35.4 m -101.03 -32.46 10.6 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.814 -177.096 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 17' ' ' CYS . 0.3 OUTLIER 77.94 48.38 0.05 OUTLIER 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.663 -172.346 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.606 HH21 ' HB2' ' A' ' 30' ' ' HIS . 5.2 mtm180 -78.17 -155.62 0.08 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.039 175.085 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.942 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -161.77 120.82 2.4 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.151 -0.62 . . . . 0.0 112.164 177.406 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.426 ' O ' ' HB3' ' A' ' 10' ' ' LYS . 10.2 m-85 -136.23 150.23 48.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.604 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.11 -15.19 26.33 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.278 0.561 . . . . 0.0 110.092 178.274 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -115.44 135.59 53.96 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.378 177.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -30.38 71.27 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.686 175.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.449 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -61.8 -42.36 98.91 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.826 175.893 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.793 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -67.72 -38.09 83.1 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.496 179.56 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.464 HD11 ' HA ' ' A' ' 14' ' ' CYS . 0.4 OUTLIER -55.52 -59.5 4.73 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.636 173.764 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.504 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -55.38 -37.33 67.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.074 -0.966 . . . . 0.0 111.69 -178.252 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.793 HD12 ' HA ' ' A' ' 26' ' ' HIS . 54.5 mt -56.72 -46.73 81.11 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.01 0.433 . . . . 0.0 110.711 178.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.606 ' HB2' HH21 ' A' ' 19' ' ' ARG . 16.8 t60 -70.67 -37.81 73.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.342 177.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.456 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 16.0 mtp-105 -75.29 -2.64 29.13 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.445 -173.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.781 ' HE2' ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -65.23 -28.77 69.59 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.177 0.513 . . . . 0.0 109.757 174.748 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.8 mtp85 -77.49 -6.13 52.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.795 176.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.456 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 72.6 m-70 . . . . . 0 C--N 1.323 -0.565 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 176.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.677 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.1 OUTLIER . . . . . 0 CA--C 1.537 0.478 0 CA-C-O 121.395 0.617 . . . . 0.0 111.936 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -65.19 -30.23 55.16 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.658 2.239 . . . . 0.0 112.613 -175.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -118.67 91.13 3.48 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.954 -175.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -89.41 164.47 14.85 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.989 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.2 t -75.51 125.85 88.21 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.39 168.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -71.58 -10.6 26.98 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.18 1.92 . . . . 0.0 112.304 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -108.37 -32.48 7.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.833 0.349 . . . . 0.0 111.287 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 79.7 m -102.11 -31.62 10.52 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -176.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 74.67 23.71 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.201 -0.909 . . . . 0.0 108.915 -167.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.1 mtp85 -67.01 173.21 3.81 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 114.259 -1.337 . . . . 0.0 108.642 171.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.677 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -135.94 127.23 28.3 Favored 'General case' 0 C--N 1.313 -1.0 0 C-N-CA 119.211 -0.996 . . . . 0.0 112.957 -173.485 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.59 ' CE1' HD13 ' A' ' 27' ' ' LEU . 4.2 m-85 -131.83 139.88 48.97 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.126 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.74 -21.26 38.0 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.363 0.602 . . . . 0.0 109.889 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.1 mtp85 -121.7 134.4 54.96 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.686 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.09 -26.33 68.78 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.554 -1.203 . . . . 0.0 110.325 178.216 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -46.37 83.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.134 175.015 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.579 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -62.95 -34.29 77.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.173 177.59 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.59 HD13 ' CE1' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -55.89 -59.25 5.15 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.847 175.215 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.43 -39.18 69.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.475 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 26' ' ' HIS . 88.6 mt -56.66 -46.3 81.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.296 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -71.98 -36.3 69.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.169 0.509 . . . . 0.0 110.151 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.543 ' HG3' HD12 ' A' ' 27' ' ' LEU . 11.9 mtp-105 -72.4 -2.61 20.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.947 -173.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.76 -37.0 77.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.192 0.52 . . . . 0.0 110.349 175.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.432 ' HA ' ' HD2' ' A' ' 33' ' ' ARG . 6.3 mmm180 -75.24 -5.21 43.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.08 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.53 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 71.3 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.168 0.509 . . . . 0.0 110.127 176.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.911 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.466 0.346 0 CA-C-O 121.341 0.591 . . . . 0.0 112.087 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -64.39 -15.86 51.97 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 122.582 2.188 . . . . 0.0 113.044 -176.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -131.78 95.19 3.66 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.058 0.456 . . . . 0.0 110.633 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.485 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 1.3 pt20 -100.29 157.09 16.86 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.888 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.633 ' HB3' ' H ' ' A' ' 19' ' ' ARG . 37.2 t -72.26 127.96 89.56 Favored Pre-proline 0 N--CA 1.454 -0.242 0 C-N-CA 120.362 -0.535 . . . . 0.0 109.658 173.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -79.08 3.87 7.04 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.375 2.05 . . . . 0.0 112.312 178.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -113.13 -41.97 3.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.759 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.51 ' HB2' ' HG2' ' A' ' 19' ' ' ARG . 32.7 m -105.65 -32.59 8.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.731 -177.405 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 t0 78.56 48.65 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.472 -169.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.633 ' H ' ' HB3' ' A' ' 14' ' ' CYS . 4.3 mtm180 -80.78 -168.06 1.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.698 -1.137 . . . . 0.0 108.227 172.397 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.911 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -153.27 126.52 8.56 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 119.784 -0.766 . . . . 0.0 111.865 178.515 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.465 ' CE1' HD13 ' A' ' 27' ' ' LEU . 10.1 m-85 -134.1 142.68 47.61 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.839 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.4 -27.27 56.25 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.147 0.499 . . . . 0.0 110.113 177.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.4 mtp85 -109.52 137.24 47.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.9 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 t -65.2 -28.01 69.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.816 175.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.493 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -64.97 -39.81 94.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.905 178.25 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.453 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -69.77 -33.84 72.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.648 178.316 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.519 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.34 -58.29 8.34 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.6 174.922 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.454 ' O ' ' HD2' ' A' ' 32' ' ' LYS . . . -55.1 -39.39 69.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.764 -178.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 25' ' ' ASP . 96.2 mt -57.51 -49.03 77.65 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.796 0.332 . . . . 0.0 110.91 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -67.5 -36.68 81.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.36 0.6 . . . . 0.0 110.223 177.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.519 ' HG3' HD12 ' A' ' 27' ' ' LEU . 7.2 mtp-105 -73.5 2.22 8.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.841 -174.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.454 ' HD2' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -65.66 -29.09 69.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.26 0.552 . . . . 0.0 109.972 176.113 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.22 -3.64 46.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.596 177.72 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.478 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 72.5 m-70 . . . . . 0 C--N 1.327 -0.404 0 CA-C-O 121.26 0.552 . . . . 0.0 110.17 178.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.781 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.427 0 CA-C-O 121.298 0.57 . . . . 0.0 111.849 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.84 -25.59 79.81 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.661 2.241 . . . . 0.0 112.775 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -130.04 92.81 3.37 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 120.876 0.369 . . . . 0.0 110.983 -177.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.604 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 2.6 pt20 -98.59 158.41 15.62 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.39 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.553 ' SG ' ' HB2' ' A' ' 16' ' ' ASP . 49.4 t -75.24 123.19 88.62 Favored Pre-proline 0 C--N 1.332 -0.178 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 175.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -74.04 -3.51 13.9 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 122.293 1.995 . . . . 0.0 112.104 176.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.553 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -103.92 -33.23 8.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.472 -178.422 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 86.1 m -113.78 -33.17 5.89 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -174.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 83.76 18.85 0.2 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.656 1.182 . . . . 0.0 110.055 -169.464 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.604 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 7.8 mtp85 -61.64 179.03 0.27 Allowed 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 115.003 -0.998 . . . . 0.0 110.057 171.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.781 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -145.84 130.42 17.89 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.802 -0.759 . . . . 0.0 112.548 -177.896 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -136.49 146.84 46.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.007 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.48 -14.74 39.59 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.305 0.574 . . . . 0.0 109.869 178.16 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.544 ' HB2' ' HB2' ' A' ' 26' ' ' HIS . 57.1 mtp85 -114.89 134.02 55.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.735 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -28.42 69.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.453 173.225 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.415 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -66.04 -49.16 68.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.575 177.011 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.544 ' HB2' ' HB2' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -64.44 -33.72 76.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.632 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.446 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.86 -61.25 2.49 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.612 172.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.486 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -55.98 -41.95 75.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.246 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 25' ' ' ASP . 58.6 mt -54.31 -42.26 69.92 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.773 0.321 . . . . 0.0 111.1 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -72.58 -40.65 66.43 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.245 0.545 . . . . 0.0 109.948 175.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.446 ' HG3' HD12 ' A' ' 27' ' ' LEU . 36.2 mtp180 -74.73 1.63 11.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.617 -175.055 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.486 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -68.92 -25.56 64.64 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 172.866 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -75.92 -16.63 59.99 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.49 176.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.409 ' CD2' ' HA ' ' A' ' 31' ' ' ARG . 69.9 m-70 . . . . . 0 C--N 1.323 -0.581 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.5 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.18 0 CA-C-O 121.101 0.477 . . . . 0.0 111.345 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.15 -19.93 59.1 Favored 'Trans proline' 0 CA--C 1.528 0.193 0 C-N-CA 122.989 2.459 . . . . 0.0 112.623 -177.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.444 ' HB2' ' O ' ' A' ' 21' ' ' PHE . 37.6 m-85 -117.54 84.45 2.16 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.218 0.532 . . . . 0.0 111.193 -178.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.571 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -101.05 156.9 17.15 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 175.667 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.448 ' HA ' HD11 ' A' ' 27' ' ' LEU . 43.7 t -68.52 128.35 93.04 Favored Pre-proline 0 N--CA 1.451 -0.389 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 175.527 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -73.07 -5.56 17.41 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.505 2.137 . . . . 0.0 112.127 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.04 -32.68 7.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.789 0.328 . . . . 0.0 110.941 -178.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.7 m -110.6 -32.71 6.8 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -173.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 70.28 50.99 0.39 Allowed 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 123.63 1.681 . . . . 0.0 109.5 -171.513 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.571 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 2.3 mtp85 -85.4 -155.11 0.21 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 113.096 -1.866 . . . . 0.0 109.327 172.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.434 ' H ' ' HB3' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -153.6 123.91 7.04 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.167 -0.613 . . . . 0.0 112.415 179.07 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.472 ' CD1' HD13 ' A' ' 27' ' ' LEU . 13.7 m-85 -137.26 131.85 32.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.736 178.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.84 -22.88 58.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.111 0.482 . . . . 0.0 109.893 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.1 mtp85 -116.3 137.33 52.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.804 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.62 -25.49 67.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.968 174.326 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -39.27 87.43 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.58 176.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.799 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -73.19 -32.36 64.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.672 178.136 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.472 HD13 ' CD1' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -55.14 -57.7 10.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.798 173.539 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.521 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -55.11 -37.81 67.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.779 -178.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.799 HD12 ' HA ' ' A' ' 26' ' ' HIS . 23.2 mt -57.46 -41.47 80.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.671 0.272 . . . . 0.0 111.169 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -75.48 -39.79 58.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.13 0.49 . . . . 0.0 110.234 175.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.519 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 16.8 mtp-105 -71.01 -1.15 11.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.922 -173.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.521 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 0.7 OUTLIER -62.15 -30.85 71.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.127 0.489 . . . . 0.0 110.055 174.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -18.21 62.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.16 177.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.519 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 95.1 m-70 . . . . . 0 C--N 1.323 -0.586 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.811 177.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.581 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.47 0.553 0 CA-C-O 121.253 0.549 . . . . 0.0 111.961 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -74.31 -12.68 23.1 Favored 'Trans proline' 0 CA--C 1.529 0.235 0 C-N-CA 122.668 2.245 . . . . 0.0 112.716 -177.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -124.53 90.17 3.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.868 0.366 . . . . 0.0 110.38 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.728 ' HG2' ' HA ' ' A' ' 20' ' ' SER . 0.3 OUTLIER -111.04 161.91 15.41 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 120.889 0.375 . . . . 0.0 111.257 -178.869 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.472 ' HB3' ' H ' ' A' ' 19' ' ' ARG . 44.3 t -75.13 122.01 86.49 Favored Pre-proline 0 N--CA 1.446 -0.644 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.312 173.416 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.33 -2.89 12.38 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.436 2.091 . . . . 0.0 112.088 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -110.85 -32.27 6.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.908 -177.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.608 ' HB2' ' HG3' ' A' ' 19' ' ' ARG . 59.3 m -112.06 -32.24 6.63 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -175.35 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.436 ' HB2' ' O ' ' A' ' 17' ' ' CYS . 0.2 OUTLIER 81.32 34.03 0.11 Allowed 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.862 0.839 . . . . 0.0 108.749 -166.611 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.639 HH21 ' HB2' ' A' ' 30' ' ' HIS . 3.7 mtm180 -83.21 142.6 31.05 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 114.512 -1.222 . . . . 0.0 107.902 171.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.728 ' HA ' ' HG2' ' A' ' 13' ' ' GLN . 0.3 OUTLIER -117.71 138.43 52.02 Favored 'General case' 0 C--N 1.311 -1.084 0 C-N-CA 119.9 -0.72 . . . . 0.0 112.941 -172.278 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.455 ' CE1' HD13 ' A' ' 27' ' ' LEU . 8.3 m-85 -137.55 141.05 41.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.421 -178.413 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.26 -21.31 29.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.338 0.59 . . . . 0.0 109.926 177.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.7 mtm-85 -111.12 131.25 55.24 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.455 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -25.73 67.53 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.457 -1.247 . . . . 0.0 111.079 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -72.82 -38.02 67.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.531 177.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.548 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -61.91 -31.41 71.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.739 179.102 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.455 HD13 ' CE1' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -55.4 -62.93 1.35 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.056 174.625 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.461 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -55.45 -38.65 69.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.256 -0.883 . . . . 0.0 111.702 -178.249 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 26' ' ' HIS . 84.9 mt -55.36 -45.49 76.49 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.915 0.388 . . . . 0.0 111.239 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.639 ' HB2' HH21 ' A' ' 19' ' ' ARG . 13.1 t60 -72.95 -38.96 66.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.289 0.566 . . . . 0.0 110.271 177.307 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.621 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 21.6 mtp-105 -73.12 7.05 2.33 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.519 -173.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.541 ' HE2' ' HA ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -68.84 -26.31 65.09 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 174.233 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.534 ' HA ' ' HD2' ' A' ' 33' ' ' ARG . 3.1 mmm-85 -82.19 6.32 16.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.335 175.429 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.621 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 88.8 m-70 . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.883 178.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.684 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.386 0 CA-C-O 121.145 0.498 . . . . 0.0 111.36 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -62.57 -18.41 63.47 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.812 2.341 . . . . 0.0 112.387 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -122.82 78.87 1.58 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.095 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -94.6 156.37 16.46 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 175.924 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.586 ' HA ' HD11 ' A' ' 27' ' ' LEU . 43.9 t -67.2 125.81 91.57 Favored Pre-proline 0 C--N 1.327 -0.399 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.583 177.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -71.95 -3.27 12.9 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.295 1.997 . . . . 0.0 112.336 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -112.72 -33.04 6.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.743 0.306 . . . . 0.0 111.411 -179.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 18' ' ' ASP . 61.1 m -107.94 -31.93 7.78 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -177.194 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 17' ' ' CYS . 1.0 OUTLIER 75.47 49.12 0.08 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.946 -173.031 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.423 ' HB3' ' H ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -84.59 -148.02 0.1 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.043 177.873 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.684 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -157.46 122.29 4.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.094 0.473 . . . . 0.0 111.59 177.926 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.41 ' CD1' HD13 ' A' ' 27' ' ' LEU . 12.5 m-85 -137.8 134.59 35.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.097 178.227 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.38 -20.84 33.48 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.301 0.572 . . . . 0.0 109.759 -179.335 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.89 135.26 50.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.236 177.06 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -28.35 69.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.336 0.589 . . . . 0.0 109.629 173.589 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.5 -47.43 81.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.36 175.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.621 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -59.71 -38.37 81.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.754 178.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.586 HD11 ' HA ' ' A' ' 14' ' ' CYS . 0.3 OUTLIER -55.29 -60.38 3.47 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.984 174.817 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.35 -37.15 67.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.996 -177.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 26' ' ' HIS . 78.5 mt -58.59 -44.84 89.98 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.944 0.402 . . . . 0.0 111.259 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -71.57 -36.41 70.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.27 0.557 . . . . 0.0 110.018 178.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.505 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 15.0 mtp-105 -74.99 2.33 10.74 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.763 -174.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -39.17 81.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.782 179.208 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 33' ' ' ARG . 1.4 ttp-105 -84.1 6.83 20.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.621 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.505 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 31.4 m-70 . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 121.1 0.476 . . . . 0.0 110.343 177.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.497 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.3 0 CA-C-O 121.144 0.497 . . . . 0.0 111.586 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.69 -10.43 22.22 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -128.95 90.6 3.06 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.029 0.442 . . . . 0.0 110.435 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.67 153.23 23.72 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.101 179.589 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.402 ' HA ' HD11 ' A' ' 27' ' ' LEU . 40.1 t -68.02 128.41 93.3 Favored Pre-proline 0 N--CA 1.453 -0.279 0 C-N-CA 120.554 -0.458 . . . . 0.0 109.94 178.579 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -76.07 -5.15 16.0 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.403 2.069 . . . . 0.0 112.442 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -108.24 -40.4 5.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.846 0.355 . . . . 0.0 110.87 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.446 ' HB2' ' CG ' ' A' ' 19' ' ' ARG . 18.0 m -106.33 -32.89 7.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.241 -176.151 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 84.23 24.43 0.11 Allowed 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.956 1.41 . . . . 0.0 110.879 -175.298 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.446 ' CG ' ' HB2' ' A' ' 17' ' ' CYS . 5.5 mtm180 -64.17 171.24 3.11 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 114.926 -1.033 . . . . 0.0 110.037 170.522 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.497 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -128.64 139.01 52.47 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -178.126 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.546 ' CD1' HD13 ' A' ' 27' ' ' LEU . 43.7 m-85 -142.72 131.8 23.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.124 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.51 -34.1 71.94 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.165 0.507 . . . . 0.0 110.099 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 23' ' ' ARG . 5.5 mtm-85 -106.9 140.24 40.03 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.381 178.535 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.17 -26.44 68.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.574 0.702 . . . . 0.0 109.279 174.134 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.508 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -65.17 -39.72 93.31 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.643 176.013 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.573 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -68.74 -36.43 78.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.434 177.467 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.551 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.77 -59.35 4.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.083 175.417 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.577 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -55.42 -37.25 67.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.834 -177.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.573 HD12 ' HA ' ' A' ' 26' ' ' HIS . 95.0 mt -55.13 -45.13 75.56 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.95 0.405 . . . . 0.0 110.739 178.524 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.419 ' HB2' HH21 ' A' ' 19' ' ' ARG . 14.3 t60 -75.62 -35.84 60.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.256 0.55 . . . . 0.0 110.269 177.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.551 ' HG3' HD12 ' A' ' 27' ' ' LEU . 12.8 mtp-105 -75.71 0.83 16.41 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.232 -173.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.577 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 3.3 mptt -61.42 -31.39 71.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.426 178.357 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -85.5 6.08 28.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.964 178.267 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.457 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 67.1 m-70 . . . . . 0 C--N 1.327 -0.387 0 CA-C-O 121.074 0.464 . . . . 0.0 110.219 177.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.564 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.373 0 CA-C-O 121.083 0.468 . . . . 0.0 111.272 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -58.56 -21.26 53.89 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.905 2.403 . . . . 0.0 113.178 -175.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -127.26 91.08 3.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.008 0.433 . . . . 0.0 111.13 -178.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.9 pm0 -100.67 154.29 18.72 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.103 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.42 ' HA ' HD11 ' A' ' 27' ' ' LEU . 41.3 t -70.11 132.26 88.36 Favored Pre-proline 0 C--N 1.329 -0.32 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.012 177.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.01 -6.11 16.41 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.61 2.207 . . . . 0.0 112.897 178.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -112.16 -33.21 6.3 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.843 0.354 . . . . 0.0 111.219 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.413 ' HB2' ' HG2' ' A' ' 19' ' ' ARG . 32.5 m -107.11 -32.25 7.91 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -177.418 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.7 t70 79.07 40.66 0.1 Allowed 'General case' 0 N--CA 1.469 0.485 0 O-C-N 123.896 0.748 . . . . 0.0 110.233 -175.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.542 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . 3.8 mtm180 -76.71 -158.75 0.11 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.284 178.185 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.564 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -150.7 120.61 7.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.345 0.593 . . . . 0.0 112.227 178.776 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 14.9 m-85 -133.96 141.79 47.43 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.694 178.62 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.03 -21.14 27.91 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.484 0.659 . . . . 0.0 109.512 178.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.5 mtp85 -117.08 135.01 54.05 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.518 178.339 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -27.82 69.06 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 114.757 -1.11 . . . . 0.0 109.783 175.689 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.592 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -62.51 -42.65 99.65 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.29 175.051 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.533 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -69.31 -35.25 75.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.735 177.775 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.493 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -55.76 -58.81 6.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.56 173.73 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.405 ' O ' ' HD2' ' A' ' 32' ' ' LYS . . . -55.6 -36.31 66.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.736 -179.102 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 25' ' ' ASP . 95.7 mt -58.68 -42.13 87.79 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.924 0.393 . . . . 0.0 110.73 178.461 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.418 ' HB2' HH21 ' A' ' 19' ' ' ARG . 12.4 t60 -74.97 -35.54 62.07 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.246 0.546 . . . . 0.0 110.212 176.667 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.553 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 22.2 mtp-105 -78.37 3.27 16.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.262 -172.642 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.405 ' HD2' ' O ' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -57.58 -41.76 81.76 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.126 0.489 . . . . 0.0 110.824 178.034 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -71.96 -14.45 61.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.194 -179.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.553 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 70.5 m-70 . . . . . 0 C--N 1.321 -0.646 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.295 178.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.629 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 121.924 0.868 . . . . 0.0 112.754 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 31.2 Cg_exo -61.16 -32.56 91.11 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 123.758 2.972 . . . . 0.0 112.268 -178.557 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -117.53 83.77 2.05 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.606 0.717 . . . . 0.0 110.808 -177.241 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.752 ' HG2' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -83.65 152.74 24.62 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.4 179.542 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.476 ' SG ' ' HB2' ' A' ' 16' ' ' ASP . 37.7 t -77.19 117.45 65.3 Favored Pre-proline 0 N--CA 1.451 -0.4 0 C-N-CA 119.37 -0.932 . . . . 0.0 109.217 165.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -72.98 -2.19 11.62 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.234 1.956 . . . . 0.0 111.508 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.476 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 1.7 m-20 -105.45 -18.1 14.22 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.925 -176.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.3 m -127.49 -33.03 2.37 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -170.058 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.58 ' HA ' ' OE1' ' A' ' 13' ' ' GLN . 1.8 t70 81.87 15.74 0.48 Allowed 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 -164.023 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.752 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 5.7 mtp85 -71.49 166.97 20.65 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 114.587 -1.188 . . . . 0.0 108.309 168.454 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.629 ' HB2' ' HB2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -144.75 135.12 24.32 Favored 'General case' 0 C--N 1.314 -0.939 0 C-N-CA 119.905 -0.718 . . . . 0.0 112.261 -174.197 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.409 ' CD1' HD13 ' A' ' 27' ' ' LEU . 28.6 m-85 -134.97 146.01 48.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.447 -179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.09 -18.19 31.08 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.415 0.626 . . . . 0.0 109.413 178.495 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -118.23 137.5 52.98 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.754 178.277 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.41 -26.42 67.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.985 174.346 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -47.9 80.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.744 178.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -34.55 78.32 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.528 178.677 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.525 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.89 -62.17 1.88 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.147 174.521 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.451 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -56.05 -38.18 70.24 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.814 -178.096 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.434 ' O ' ' HB2' ' A' ' 32' ' ' LYS . 55.6 mt -56.98 -50.01 73.98 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 120.892 0.377 . . . . 0.0 110.705 178.208 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.414 ' CD2' ' HE ' ' A' ' 19' ' ' ARG . 7.1 t60 -67.08 -37.41 83.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.562 178.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.525 ' HG3' HD12 ' A' ' 27' ' ' LEU . 14.7 mtp-105 -73.14 -1.24 16.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.643 -174.391 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -63.06 -28.19 69.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.104 0.478 . . . . 0.0 110.224 174.537 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -80.62 -6.27 58.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.909 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 . . . . . 0 C--N 1.326 -0.447 0 CA-C-O 121.158 0.504 . . . . 0.0 110.15 179.149 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.769 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 8.8 mttt . . . . . 0 N--CA 1.471 0.624 0 CA-C-O 121.37 0.605 . . . . 0.0 112.361 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -62.13 -15.02 41.33 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 123.033 2.489 . . . . 0.0 113.8 -175.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.476 ' HB2' ' O ' ' A' ' 21' ' ' PHE . 47.5 m-85 -124.87 89.83 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.971 0.415 . . . . 0.0 110.966 -178.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -95.57 166.78 11.68 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.101 177.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.6 t -75.79 128.6 83.22 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 114.955 -1.02 . . . . 0.0 109.022 167.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -76.37 -10.33 19.02 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 122.174 1.916 . . . . 0.0 112.49 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -104.8 -39.86 6.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.971 0.415 . . . . 0.0 110.96 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 18' ' ' ASP . 61.1 m -96.25 -31.94 12.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.936 -0.574 . . . . 0.0 112.297 -175.264 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 17' ' ' CYS . 0.5 OUTLIER 78.23 30.68 0.41 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.448 -171.353 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -72.55 -168.67 0.46 Allowed 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 114.759 -1.109 . . . . 0.0 109.363 174.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.769 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -150.27 124.03 9.21 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 119.49 -0.884 . . . . 0.0 112.774 -175.385 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.476 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 3.8 m-85 -134.8 132.89 39.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.224 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.41 -24.94 42.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.16 0.505 . . . . 0.0 110.358 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -115.1 132.84 56.47 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.837 176.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -21.04 66.25 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.846 -178.333 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.433 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 2.7 t70 -64.79 -47.41 78.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.753 173.75 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.629 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -58.94 -35.61 73.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.071 177.423 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.561 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.66 -61.52 2.3 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 175.16 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.533 ' O ' ' HD2' ' A' ' 32' ' ' LYS . . . -55.79 -41.01 73.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.534 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 26' ' ' HIS . 89.6 mt -52.74 -45.39 66.99 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.956 0.408 . . . . 0.0 111.153 179.101 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -75.01 -37.79 61.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.298 0.57 . . . . 0.0 109.883 177.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.565 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 8.2 mtp-105 -74.48 -4.02 34.22 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.152 -173.36 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.533 ' HD2' ' O ' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -63.81 -33.71 76.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.116 0.484 . . . . 0.0 109.769 178.03 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.47 -4.17 47.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.109 177.7 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.565 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 39.8 m-70 . . . . . 0 C--N 1.332 -0.181 0 CA-C-O 121.199 0.523 . . . . 0.0 110.189 176.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.887 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.472 0.644 0 CA-C-O 121.716 0.77 . . . . 0.0 112.82 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -63.26 -22.22 72.22 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.508 2.139 . . . . 0.0 112.451 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -132.78 91.91 2.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.711 -178.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.736 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -100.26 160.24 14.49 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.455 ' HB3' ' HB2' ' A' ' 19' ' ' ARG . 43.3 t -73.08 125.96 90.68 Favored Pre-proline 0 C--N 1.328 -0.335 0 C-N-CA 120.143 -0.623 . . . . 0.0 109.673 174.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -77.87 -4.24 14.28 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.541 2.16 . . . . 0.0 112.281 178.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -104.73 -36.42 7.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.951 0.405 . . . . 0.0 110.574 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 79.8 m -103.81 -31.98 9.55 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -175.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 t70 80.95 37.38 0.09 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.169 -166.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.736 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 0.5 OUTLIER -79.21 -159.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.424 175.927 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.887 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -165.44 126.04 1.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.765 178.934 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -134.62 148.37 50.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.956 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -27.81 41.49 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.941 0.401 . . . . 0.0 110.731 -179.351 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -120.44 135.2 55.12 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-O 121.634 0.73 . . . . 0.0 110.84 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -25.53 68.21 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 114.26 -1.336 . . . . 0.0 110.678 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.525 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -64.13 -41.63 97.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.178 175.906 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.484 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -68.11 -34.11 75.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.778 178.46 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.452 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.55 -59.5 4.75 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.925 173.705 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.457 ' O ' ' HD2' ' A' ' 32' ' ' LYS . . . -55.1 -37.77 67.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.162 -0.927 . . . . 0.0 111.602 -178.63 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 25' ' ' ASP . 95.7 mt -58.7 -44.44 90.31 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.882 0.373 . . . . 0.0 110.898 179.091 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -72.54 -37.13 68.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.235 0.54 . . . . 0.0 110.16 177.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.452 ' HG3' HD12 ' A' ' 27' ' ' LEU . 24.0 mtp-105 -71.35 -5.8 35.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.53 -175.016 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.457 ' HD2' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -62.16 -31.2 71.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.317 0.579 . . . . 0.0 109.908 175.038 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -15.9 61.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.129 178.066 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 . . . . . 0 C--N 1.323 -0.559 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.041 -178.912 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.521 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.464 0 CA-C-O 121.536 0.684 . . . . 0.0 112.308 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -67.19 -16.19 48.09 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.61 2.207 . . . . 0.0 112.977 -177.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -128.51 93.2 3.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.968 0.414 . . . . 0.0 110.768 -178.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.646 ' HG2' ' HA ' ' A' ' 20' ' ' SER . 1.1 mt-30 -105.72 160.7 15.01 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.186 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.3 t -72.25 122.88 88.58 Favored Pre-proline 0 N--CA 1.449 -0.519 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 172.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -73.1 -0.78 9.57 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.417 2.078 . . . . 0.0 112.478 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -115.61 -41.05 3.29 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.615 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.0 m -94.58 -33.17 13.13 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -173.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 76.6 24.05 1.04 Allowed 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.622 0.725 . . . . 0.0 109.248 -165.478 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.523 HH21 ' HB2' ' A' ' 30' ' ' HIS . 5.1 mtp85 -71.35 157.18 38.53 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 114.292 -1.322 . . . . 0.0 108.139 164.638 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.646 ' HA ' ' HG2' ' A' ' 13' ' ' GLN . 0.5 OUTLIER -129.67 142.95 50.63 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -175.416 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.537 ' CD1' HD13 ' A' ' 27' ' ' LEU . 47.4 m-85 -141.14 143.2 34.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.154 -178.693 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.17 -20.35 30.37 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.229 0.538 . . . . 0.0 110.395 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.423 HH21 ' CG ' ' A' ' 25' ' ' ASP . 0.8 OUTLIER -124.49 131.49 53.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.859 177.712 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -22.62 65.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.187 0.518 . . . . 0.0 110.644 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.501 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -62.92 -46.37 88.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.274 175.737 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.625 ' HA ' HD12 ' A' ' 29' ' ' LEU . 1.6 m170 -65.37 -35.78 82.0 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.51 176.593 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.554 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -55.46 -60.63 3.15 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.964 174.873 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.562 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -56.07 -38.16 70.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.694 -178.037 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 26' ' ' HIS . 95.8 mt -55.74 -41.7 74.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.22 0.533 . . . . 0.0 110.622 178.07 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.523 ' HB2' HH21 ' A' ' 19' ' ' ARG . 18.4 t60 -75.18 -41.29 58.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.591 176.746 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.593 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 37.5 mtp180 -74.42 -8.88 57.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.677 -172.237 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.562 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 2.3 mptt -61.8 -30.83 71.08 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.255 0.55 . . . . 0.0 109.646 176.169 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -72.34 -17.18 61.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.2 177.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.593 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 72.0 m-70 . . . . . 0 C--N 1.324 -0.52 0 CA-C-O 121.062 0.458 . . . . 0.0 110.613 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.1 mttt . . . . . 0 N--CA 1.467 0.381 0 CA-C-O 121.074 0.464 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -61.71 -16.71 50.37 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.742 2.295 . . . . 0.0 112.692 -176.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.435 ' O ' ' HD1' ' A' ' 21' ' ' PHE . 52.9 m-85 -120.19 77.58 1.27 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.069 0.461 . . . . 0.0 111.13 -178.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.438 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -100.33 156.11 17.42 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 176.325 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.542 ' HA ' HD11 ' A' ' 27' ' ' LEU . 44.8 t -69.16 127.55 92.95 Favored Pre-proline 0 C--N 1.327 -0.382 0 C-N-CA 120.547 -0.461 . . . . 0.0 109.864 178.32 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -73.84 -2.46 12.27 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.328 2.019 . . . . 0.0 112.54 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -113.99 -37.55 4.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.891 0.376 . . . . 0.0 111.206 -179.497 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 39.1 m -102.6 -31.85 10.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.66 -178.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 t0 72.42 52.79 0.17 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.033 -173.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.438 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 0.2 OUTLIER -85.14 -154.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.439 176.04 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.12 124.42 7.58 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.254 -0.578 . . . . 0.0 112.098 177.399 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.435 ' HD1' ' O ' ' A' ' 12' ' ' PHE . 3.8 m-85 -138.61 135.51 35.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.009 177.259 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.09 -12.35 50.32 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.4 0.619 . . . . 0.0 109.823 178.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.627 ' HB2' ' HB2' ' A' ' 26' ' ' HIS . 7.0 mtm-85 -110.83 131.52 54.98 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.062 -179.15 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -26.33 68.56 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.254 -1.339 . . . . 0.0 111.196 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -81.34 -32.74 32.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.511 178.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.627 ' HB2' ' HB2' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -62.84 -36.54 83.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.638 178.702 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.542 HD11 ' HA ' ' A' ' 14' ' ' CYS . 0.4 OUTLIER -55.63 -60.82 2.9 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.257 0.551 . . . . 0.0 109.817 174.33 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.479 ' O ' ' HD2' ' A' ' 32' ' ' LYS . . . -55.12 -37.25 66.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.876 -1.056 . . . . 0.0 111.812 -178.136 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 26' ' ' HIS . 60.0 mt -54.74 -49.8 69.93 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 123.124 0.265 . . . . 0.0 111.225 178.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -70.64 -36.6 73.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.264 0.554 . . . . 0.0 110.189 177.125 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.472 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 15.7 mtp-105 -74.71 -4.4 37.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.571 -174.278 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.479 ' HD2' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -62.95 -27.82 69.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.901 0.382 . . . . 0.0 110.023 176.721 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -78.88 -11.71 60.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.791 177.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.472 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 87.7 m-70 . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.906 176.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 21' ' ' PHE . 1.2 mttm . . . . . 0 N--CA 1.466 0.348 0 CA-C-O 121.176 0.512 . . . . 0.0 111.898 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -63.66 -17.63 60.74 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 122.582 2.188 . . . . 0.0 113.263 -175.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -126.1 92.55 3.6 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.66 0.267 . . . . 0.0 110.851 -177.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -95.6 169.4 10.06 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 121.034 -0.266 . . . . 0.0 110.88 177.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.575 ' HB3' ' H ' ' A' ' 19' ' ' ARG . 52.0 t -76.87 123.96 87.5 Favored Pre-proline 0 C--N 1.318 -0.783 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.762 166.234 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.64 5.03 5.51 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.405 2.07 . . . . 0.0 112.036 176.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.2 -40.95 3.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.132 0.491 . . . . 0.0 110.845 -178.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 18' ' ' ASP . 59.0 m -104.23 -31.35 9.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.346 -175.185 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER 78.63 43.25 0.08 Allowed 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -166.759 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.575 ' H ' ' HB3' ' A' ' 14' ' ' CYS . 7.2 mtm180 -80.7 -174.41 4.71 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 171.71 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.416 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -147.1 129.28 15.62 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 119.701 -0.8 . . . . 0.0 112.222 178.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.468 ' CD1' HD13 ' A' ' 27' ' ' LEU . 28.6 m-85 -133.95 139.12 45.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.375 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.11 -25.65 31.77 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.465 0.65 . . . . 0.0 109.717 177.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.1 mtp85 -111.83 132.15 54.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.563 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.28 -26.81 68.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.253 177.27 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -68.41 -40.84 81.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.158 177.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.744 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -65.13 -34.68 78.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.718 177.415 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.61 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.27 -62.23 1.81 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.807 175.155 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.6 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -56.22 -35.7 67.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.793 -177.755 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.744 HD12 ' HA ' ' A' ' 26' ' ' HIS . 51.5 mt -56.19 -45.16 79.91 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.891 0.377 . . . . 0.0 110.963 178.663 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.568 ' HB2' HH21 ' A' ' 19' ' ' ARG . 20.5 t60 -75.8 -37.72 58.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.424 176.636 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.61 ' HG3' HD12 ' A' ' 27' ' ' LEU . 20.0 mtp-105 -72.73 -4.15 29.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.348 -175.319 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.6 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -65.23 -27.18 68.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.964 0.412 . . . . 0.0 110.018 177.349 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -77.07 -8.01 56.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.883 175.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 . . . . . 0 C--N 1.325 -0.47 0 CA-C-O 121.185 0.517 . . . . 0.0 109.926 178.307 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.79 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 3.7 mttt . . . . . 0 CA--C 1.543 0.705 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -68.42 -16.58 43.48 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 122.922 2.415 . . . . 0.0 113.208 -177.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -130.18 89.75 2.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.173 0.511 . . . . 0.0 111.036 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.699 ' HG2' ' O ' ' A' ' 19' ' ' ARG . 0.9 OUTLIER -89.63 153.13 20.98 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.086 -178.849 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.476 ' HA ' HD11 ' A' ' 27' ' ' LEU . 36.8 t -70.73 130.39 88.77 Favored Pre-proline 0 N--CA 1.453 -0.318 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 169.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -74.47 -5.02 16.31 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.471 2.114 . . . . 0.0 112.769 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -115.84 -31.77 5.67 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -177.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 86.4 m -104.02 -32.08 9.39 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -174.093 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 78.96 14.79 1.11 Allowed 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 -167.701 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.699 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 11.0 mtp85 -62.69 157.91 19.77 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 113.973 -1.467 . . . . 0.0 108.882 167.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.79 ' HB2' ' HB2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -134.55 136.22 42.87 Favored 'General case' 0 C--N 1.31 -1.125 0 C-N-CA 119.368 -0.933 . . . . 0.0 112.925 -170.759 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.421 ' CE1' HD13 ' A' ' 27' ' ' LEU . 4.6 m-85 -135.23 146.81 48.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.59 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.77 -11.99 49.42 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.342 0.591 . . . . 0.0 109.93 178.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.7 mtm-85 -124.55 136.29 53.86 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.71 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -29.61 70.7 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-N 114.404 -1.271 . . . . 0.0 109.785 176.009 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -40.24 94.84 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.891 175.595 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.49 -31.2 68.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.691 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.601 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.64 -60.78 2.95 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 173.543 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.471 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -56.05 -41.34 74.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.725 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.9 mt -54.93 -44.31 74.15 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.962 0.41 . . . . 0.0 111.039 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.473 ' HB2' HH21 ' A' ' 19' ' ' ARG . 14.0 t60 -74.49 -38.13 62.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.325 0.583 . . . . 0.0 110.121 177.464 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.601 ' HG3' HD12 ' A' ' 27' ' ' LEU . 20.5 mtp-105 -74.24 -3.96 33.12 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.419 -173.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.471 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -65.61 -27.47 68.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.118 0.485 . . . . 0.0 109.726 175.461 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.27 -18.65 60.69 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.644 175.661 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.555 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 92.5 m-70 . . . . . 0 C--N 1.322 -0.594 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.025 176.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.78 -0.528 . . . . 0.0 111.78 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m -155.76 107.07 2.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.117 0.485 . . . . 0.0 110.66 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.641 ' HB ' ' HA3' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -112.77 -40.96 3.89 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.923 0.868 . . . . 0.0 110.499 -179.19 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.424 ' HB2' ' O ' ' A' ' 7' ' ' THR . 15.2 mtm180 -151.09 54.02 0.87 Allowed 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 113.988 -1.46 . . . . 0.0 108.943 176.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 80.68 -74.76 2.34 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.277 -173.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.645 ' HB2' ' HA ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -149.1 10.95 0.8 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.979 0.419 . . . . 0.0 110.625 177.2 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.831 ' HA ' ' HG3' ' A' ' 13' ' ' GLN . 1.1 p -136.43 73.91 1.47 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.323 0.582 . . . . 0.0 111.855 -174.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.641 ' HA3' ' HB ' ' A' ' 3' ' ' THR . . . -97.55 -97.05 1.95 Allowed Glycine 0 N--CA 1.44 -1.095 0 C-N-CA 120.442 -0.885 . . . . 0.0 113.204 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.577 ' HB ' ' HB3' ' A' ' 20' ' ' SER . 2.6 mt -78.77 161.14 4.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -174.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 mttt 59.24 146.46 0.06 OUTLIER Pre-proline 0 N--CA 1.471 0.59 0 C-N-CA 123.778 0.831 . . . . 0.0 112.844 173.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -66.04 -20.53 57.08 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.256 1.971 . . . . 0.0 111.883 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -123.16 81.21 1.85 Allowed 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.754 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.831 ' HG3' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -103.16 159.54 15.45 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.135 179.244 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.474 ' SG ' ' HB2' ' A' ' 16' ' ' ASP . 44.1 t -74.89 121.2 84.74 Favored Pre-proline 0 C--N 1.327 -0.407 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.262 177.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.645 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 73.3 Cg_endo -75.43 3.73 5.58 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.725 2.283 . . . . 0.0 112.153 176.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.474 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 0.4 OUTLIER -108.9 -29.39 8.64 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.748 -179.565 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.433 ' HB2' ' HG2' ' A' ' 19' ' ' ARG . 83.6 m -117.06 -32.69 4.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.35 -176.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.421 ' HB2' ' HA ' ' A' ' 6' ' ' SER . 9.3 t0 79.93 49.6 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.392 -0.822 . . . . 0.0 108.976 -166.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.507 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 6.6 mmm180 -83.78 -154.83 0.16 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.352 177.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.577 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 0.5 OUTLIER -163.11 122.59 2.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.164 0.507 . . . . 0.0 111.46 175.034 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -133.77 136.27 44.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.253 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -18.04 52.09 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.362 0.601 . . . . 0.0 109.743 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -118.84 129.13 55.05 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.773 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -29.57 67.0 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.38 -1.282 . . . . 0.0 111.1 177.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.94 -47.48 80.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.805 178.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -31.62 72.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.774 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.472 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.38 -60.41 3.45 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.755 173.64 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.581 ' O ' ' HD2' ' A' ' 32' ' ' LYS . . . -56.12 -36.23 67.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.612 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.45 ' O ' ' HB2' ' A' ' 32' ' ' LYS . 68.1 mt -61.42 -42.88 99.44 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.168 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.487 ' HB2' HH21 ' A' ' 19' ' ' ARG . 10.7 t60 -72.41 -36.33 68.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.307 0.575 . . . . 0.0 109.891 176.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.472 ' HG3' HD12 ' A' ' 27' ' ' LEU . 18.2 mtp-105 -74.67 -2.24 25.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.305 -175.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.581 ' HD2' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -63.46 -26.11 68.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.923 174.336 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -80.78 -7.89 59.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.832 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.465 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 73.4 m-70 -98.97 5.87 46.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 -178.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.1 mtt -81.0 -70.75 0.51 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.36 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.74 53.36 1.6 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 176.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.249 1.046 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.944 -178.373 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.607 ' HA3' ' OG ' ' A' ' 6' ' ' SER . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 111.481 -0.648 . . . . 0.0 111.481 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.7 -33.79 0.41 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.514 0.157 . . . . 0.0 111.37 -177.212 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.09 90.17 1.52 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.659 0.266 . . . . 0.0 111.092 -178.525 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 56.83 -105.24 0.26 Allowed 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.681 -178.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -100.69 40.96 2.26 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.947 176.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.607 ' OG ' ' HA3' ' A' ' 1' ' ' GLY . 19.7 m 61.64 35.18 17.24 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.237 0.615 . . . . 0.0 111.58 -179.147 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.04 95.81 3.18 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.692 179.145 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -120.67 -92.43 1.28 Allowed Glycine 0 N--CA 1.441 -0.991 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.85 -177.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.7 mt -79.54 159.34 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -176.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.584 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 1.5 mttt 55.43 147.42 0.05 OUTLIER Pre-proline 0 N--CA 1.474 0.766 0 C-N-CA 123.857 0.863 . . . . 0.0 113.193 172.385 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.28 -20.28 21.41 Favored 'Trans proline' 0 CA--C 1.529 0.266 0 C-N-CA 122.236 1.957 . . . . 0.0 112.403 -176.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -126.5 82.64 2.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.474 -178.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.699 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 1.8 pt20 -113.04 162.63 15.68 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 121.141 -0.224 . . . . 0.0 110.606 -177.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.0 t -75.31 123.08 88.52 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.491 176.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -78.82 -1.63 11.76 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.724 2.283 . . . . 0.0 112.533 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -104.24 -42.57 5.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.208 0.528 . . . . 0.0 110.769 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.439 ' HB2' ' HG2' ' A' ' 19' ' ' ARG . 61.8 m -96.42 -32.17 12.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.14 -176.154 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.62 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 0.7 OUTLIER 81.1 43.58 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.981 0.801 . . . . 0.0 109.637 -171.887 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.699 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 3.7 mtm180 -81.01 -158.38 0.2 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.761 -1.108 . . . . 0.0 108.662 173.174 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.584 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -170.09 125.67 0.79 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.962 0.41 . . . . 0.0 111.612 176.761 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -133.4 152.94 51.96 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.26 -17.79 23.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.145 0.497 . . . . 0.0 110.184 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.8 mtp85 -114.44 129.77 56.67 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.47 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -29.04 70.4 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.562 -1.199 . . . . 0.0 110.444 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -43.45 95.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.103 174.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.731 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -62.84 -35.27 79.39 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.913 179.431 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.493 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -56.1 -60.31 3.66 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.145 0.498 . . . . 0.0 109.962 174.491 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.54 -37.21 67.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.851 -176.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.731 HD12 ' HA ' ' A' ' 26' ' ' HIS . 41.1 mt -54.45 -45.67 73.15 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.857 0.36 . . . . 0.0 110.881 178.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.536 ' HB2' HH21 ' A' ' 19' ' ' ARG . 19.0 t60 -72.6 -39.75 67.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.533 177.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.493 ' HG3' HD12 ' A' ' 27' ' ' LEU . 19.7 mtp-105 -74.24 -0.93 18.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.773 -173.296 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.4 ' HD2' ' HA ' ' A' ' 32' ' ' LYS . 2.6 mmtt -66.79 -26.77 67.11 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.34 -14.22 60.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.525 176.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.458 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 86.6 m-70 -90.91 -6.61 53.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.741 176.207 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -92.83 18.51 8.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.029 176.432 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.8 mt -109.65 54.82 0.65 Allowed 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 176.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.246 0.918 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.527 -174.62 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 111.734 -0.546 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.3 m 58.43 45.34 16.8 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 120.907 0.384 . . . . 0.0 111.435 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.6 m -70.98 121.58 18.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.478 177.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.602 ' HG3' ' HA2' ' A' ' 8' ' ' GLY . 6.2 mmm-85 54.27 53.18 11.32 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.443 -178.203 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 73.78 -99.95 1.07 Allowed Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -174.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.458 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 3.2 m -134.58 18.27 3.6 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.976 0.417 . . . . 0.0 110.027 175.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.34 74.23 1.47 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.993 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.602 ' HA2' ' HG3' ' A' ' 4' ' ' ARG . . . -73.5 -100.92 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.909 -0.662 . . . . 0.0 111.51 178.063 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.499 HG22 ' HE2' ' A' ' 10' ' ' LYS . 0.9 OUTLIER -79.05 157.88 4.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.066 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.531 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER 56.89 148.45 0.05 OUTLIER Pre-proline 0 CA--C 1.539 0.537 0 CA-C-O 121.67 0.747 . . . . 0.0 112.48 177.352 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -60.55 -23.62 75.96 Favored 'Trans proline' 0 CA--C 1.529 0.266 0 C-N-CA 122.193 1.928 . . . . 0.0 112.348 -178.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -131.08 93.52 3.4 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.534 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.664 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -100.0 162.68 12.83 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 177.741 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.651 ' HB3' ' H ' ' A' ' 19' ' ' ARG . 45.2 t -76.02 128.63 82.71 Favored Pre-proline 0 N--CA 1.449 -0.509 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.012 173.087 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -78.77 -3.63 13.41 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 121.953 1.769 . . . . 0.0 112.009 174.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.431 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 1.6 m-20 -109.61 -40.07 4.96 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.904 0.383 . . . . 0.0 111.161 -176.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.437 ' HB2' ' HG3' ' A' ' 19' ' ' ARG . 80.4 m -94.28 -32.85 13.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.039 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 77.89 39.18 0.17 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.412 -1.267 . . . . 0.0 108.384 -165.173 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.682 HH21 ' CD2' ' A' ' 30' ' ' HIS . 1.3 mtm-85 -78.49 -160.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.485 -1.234 . . . . 0.0 109.774 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.531 ' HB2' ' HB2' ' A' ' 10' ' ' LYS . 1.5 p -165.32 122.38 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.133 0.492 . . . . 0.0 111.615 178.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.439 ' CZ ' ' HD2' ' A' ' 19' ' ' ARG . 52.8 m-85 -134.41 140.58 46.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.308 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.37 -25.21 46.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.342 0.591 . . . . 0.0 109.645 178.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -115.6 132.9 56.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.303 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.63 -26.77 68.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.973 176.407 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.463 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -61.2 -41.72 97.32 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.74 177.832 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.602 ' HA ' HD12 ' A' ' 29' ' ' LEU . 1.2 m170 -70.4 -35.08 73.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.33 177.187 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.496 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.93 -60.57 3.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.078 175.135 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.45 -38.65 69.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.992 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' A' ' 26' ' ' HIS . 69.4 mt -57.69 -49.84 75.17 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 120.839 0.352 . . . . 0.0 111.102 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.682 ' CD2' HH21 ' A' ' 19' ' ' ARG . 0.0 OUTLIER -70.41 -30.26 67.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.44 178.177 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.496 ' HG3' HD12 ' A' ' 27' ' ' LEU . 12.4 mtp-105 -74.98 0.75 14.78 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 121.079 -0.249 . . . . 0.0 111.466 -177.4 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -68.27 -25.91 65.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.439 0.637 . . . . 0.0 109.354 170.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -77.45 -5.39 49.71 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.415 176.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.461 ' HA ' HG22 ' A' ' 37' ' ' VAL . 70.2 m-70 -98.64 -5.0 32.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.243 0.544 . . . . 0.0 109.56 176.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.5 mtp -88.62 -44.44 10.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.205 -0.907 . . . . 0.0 108.667 171.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.37 81.95 1.95 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.257 175.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.461 HG22 ' HA ' ' A' ' 34' ' ' HIS . 2.9 t . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.425 -0.798 . . . . 0.0 111.002 -174.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.861 0 N-CA-C 112.092 -0.403 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.63 103.02 2.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.761 0.315 . . . . 0.0 110.914 -178.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.6 p -99.78 -27.92 13.4 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.813 0.816 . . . . 0.0 110.013 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.1 mmt-85 -144.73 52.28 1.24 Allowed 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 114.217 -1.356 . . . . 0.0 109.628 177.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 69.62 26.9 73.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.951 -177.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 m 66.73 12.76 9.04 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.392 0.677 . . . . 0.0 111.414 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.464 ' HA ' ' CG ' ' A' ' 13' ' ' GLN . 1.7 p -136.96 73.23 1.44 Allowed 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.29 0.567 . . . . 0.0 110.234 175.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.32 -97.74 1.73 Allowed Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 120.402 -0.904 . . . . 0.0 113.249 -176.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.478 ' HB ' ' HB3' ' A' ' 20' ' ' SER . 5.1 mt -79.68 160.44 4.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.53 -0.335 . . . . 0.0 111.639 -174.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.958 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER 60.2 147.16 0.07 OUTLIER Pre-proline 0 N--CA 1.467 0.402 0 C-N-CA 123.432 0.693 . . . . 0.0 112.3 174.533 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -65.4 -20.54 61.38 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.359 2.039 . . . . 0.0 111.746 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -128.61 83.82 2.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.276 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.581 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -108.74 161.06 15.46 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 179.646 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.533 ' HA ' HD11 ' A' ' 27' ' ' LEU . 38.0 t -73.15 123.69 89.81 Favored Pre-proline 0 C--N 1.329 -0.285 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.399 178.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.51 3.32 6.92 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.379 2.053 . . . . 0.0 112.341 177.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.515 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 0.5 OUTLIER -109.07 -42.67 4.36 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 120.981 0.42 . . . . 0.0 110.412 -178.761 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.554 ' HB2' ' HG2' ' A' ' 19' ' ' ARG . 38.3 m -102.15 -32.11 10.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.619 -179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.0 t0 77.62 52.21 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.725 0.774 . . . . 0.0 109.963 -172.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.581 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 0.3 OUTLIER -85.96 -146.52 0.11 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.201 175.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.958 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -166.71 123.19 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.784 0.326 . . . . 0.0 111.273 176.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -133.61 138.02 45.75 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.83 -24.64 58.64 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.173 0.511 . . . . 0.0 109.951 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 57.1 mtp85 -112.92 136.47 52.54 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.16 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -26.65 68.22 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.47 -1.241 . . . . 0.0 109.827 176.037 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.691 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -65.39 -40.59 93.65 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.57 175.062 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.12 -35.07 78.96 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.439 177.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.533 HD11 ' HA ' ' A' ' 14' ' ' CYS . 0.3 OUTLIER -54.87 -63.63 1.09 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.139 174.916 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.535 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -55.95 -36.95 68.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.74 -177.341 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' A' ' 25' ' ' ASP . 74.0 mt -58.56 -46.48 86.79 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.734 0.302 . . . . 0.0 110.96 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -71.41 -35.93 71.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.091 0.472 . . . . 0.0 110.102 177.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.629 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 16.4 mtp180 -74.18 3.38 7.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.618 -175.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.535 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 1.4 mptp? -61.15 -32.64 72.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.006 0.431 . . . . 0.0 110.577 176.402 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -78.38 -5.08 51.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.816 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.629 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 86.6 m-70 -101.4 4.13 41.12 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.283 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 17.1 mmt -97.93 24.82 6.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.385 0.612 . . . . 0.0 110.344 178.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.66 72.8 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.418 179.331 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--O 1.252 1.189 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.475 -177.434 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.558 0 N-CA-C 112.596 -0.202 . . . . 0.0 112.596 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.476 ' OG ' ' HB2' ' A' ' 18' ' ' ASP . 0.8 OUTLIER -81.3 -34.11 32.15 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.871 0.336 . . . . 0.0 110.327 177.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 57.41 -141.86 0.75 Allowed 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.122 176.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 4' ' ' ARG . 0.0 OUTLIER 60.02 56.41 3.4 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.124 0.488 . . . . 0.0 111.018 179.63 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 102.0 -53.6 0.8 Allowed Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.006 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.529 ' HA ' HD11 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -86.62 74.28 9.89 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.945 0.403 . . . . 0.0 110.726 -179.615 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.96 72.32 10.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.57 50.48 30.51 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.382 -0.826 . . . . 0.0 113.159 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.529 HD11 ' HA ' ' A' ' 6' ' ' SER . 1.6 mt -76.69 160.59 4.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 178.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.942 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 3.0 mttt 63.16 147.34 0.09 OUTLIER Pre-proline 0 CA--C 1.536 0.404 0 CA-C-O 121.238 0.542 . . . . 0.0 111.82 177.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -61.5 -20.65 69.4 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.823 2.348 . . . . 0.0 113.009 -175.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -130.57 89.24 2.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.094 0.473 . . . . 0.0 111.101 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -101.33 152.41 20.74 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.864 177.443 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.464 ' HA ' HD11 ' A' ' 27' ' ' LEU . 38.0 t -68.36 128.36 93.12 Favored Pre-proline 0 C--N 1.33 -0.242 0 C-N-CA 120.615 -0.434 . . . . 0.0 109.861 178.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -78.32 2.07 8.39 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.302 2.001 . . . . 0.0 112.47 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -113.06 -41.76 3.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.122 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 18' ' ' ASP . 35.4 m -101.03 -32.46 10.6 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.814 -177.096 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.476 ' HB2' ' OG ' ' A' ' 2' ' ' SER . 0.3 OUTLIER 77.94 48.38 0.05 OUTLIER 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.663 -172.346 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.606 HH21 ' HB2' ' A' ' 30' ' ' HIS . 5.2 mtm180 -78.17 -155.62 0.08 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.039 175.085 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.942 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -161.77 120.82 2.4 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.151 -0.62 . . . . 0.0 112.164 177.406 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.426 ' O ' ' HB3' ' A' ' 10' ' ' LYS . 10.2 m-85 -136.23 150.23 48.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.604 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.11 -15.19 26.33 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.278 0.561 . . . . 0.0 110.092 178.274 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -115.44 135.59 53.96 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.378 177.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -30.38 71.27 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.686 175.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.449 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -61.8 -42.36 98.91 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.826 175.893 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.793 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -67.72 -38.09 83.1 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.496 179.56 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.464 HD11 ' HA ' ' A' ' 14' ' ' CYS . 0.4 OUTLIER -55.52 -59.5 4.73 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.636 173.764 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.504 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -55.38 -37.33 67.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.074 -0.966 . . . . 0.0 111.69 -178.252 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.793 HD12 ' HA ' ' A' ' 26' ' ' HIS . 54.5 mt -56.72 -46.73 81.11 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.01 0.433 . . . . 0.0 110.711 178.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.606 ' HB2' HH21 ' A' ' 19' ' ' ARG . 16.8 t60 -70.67 -37.81 73.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.342 177.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.456 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 16.0 mtp-105 -75.29 -2.64 29.13 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.445 -173.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.781 ' HE2' ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -65.23 -28.77 69.59 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.177 0.513 . . . . 0.0 109.757 174.748 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.8 mtp85 -77.49 -6.13 52.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.795 176.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.456 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 72.6 m-70 -96.5 -9.47 29.55 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 176.519 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.7 mtt -87.46 -54.98 4.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.676 174.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.0 mt -124.57 92.48 3.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.468 173.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.762 -0.637 . . . . 0.0 110.591 -176.35 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.441 ' O ' ' HA ' ' A' ' 17' ' ' CYS . . . . . . . . 0 N--CA 1.484 1.847 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.0 m 49.92 -112.43 0.57 Allowed 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 122.844 0.458 . . . . 0.0 112.202 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 61.46 18.28 9.22 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.435 0.636 . . . . 0.0 111.205 -176.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -96.03 94.01 7.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.847 177.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 93.15 -39.4 2.97 Favored Glycine 0 N--CA 1.448 -0.522 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -174.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.94 103.55 0.74 Allowed 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 122.602 0.361 . . . . 0.0 110.579 177.137 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.93 73.89 1.18 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.708 -177.272 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.09 35.47 33.49 Favored Glycine 0 C--N 1.334 0.42 0 CA-C-N 115.584 -0.734 . . . . 0.0 114.02 177.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.526 ' O ' ' HB3' ' A' ' 20' ' ' SER . 0.8 OUTLIER -77.8 162.84 4.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.708 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.677 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.1 OUTLIER 64.02 149.55 0.11 Allowed Pre-proline 0 CA--C 1.537 0.478 0 CA-C-O 121.395 0.617 . . . . 0.0 111.936 175.426 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -65.19 -30.23 55.16 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.658 2.239 . . . . 0.0 112.613 -175.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -118.67 91.13 3.48 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.954 -175.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.41 164.47 14.85 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.989 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.2 t -75.51 125.85 88.21 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.39 168.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -71.58 -10.6 26.98 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.18 1.92 . . . . 0.0 112.304 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -108.37 -32.48 7.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.833 0.349 . . . . 0.0 111.287 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 1' ' ' GLY . 79.7 m -102.11 -31.62 10.52 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -176.114 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 74.67 23.71 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.201 -0.909 . . . . 0.0 108.915 -167.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.1 mtp85 -67.01 173.21 3.81 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 114.259 -1.337 . . . . 0.0 108.642 171.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.677 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -135.94 127.23 28.3 Favored 'General case' 0 C--N 1.313 -1.0 0 C-N-CA 119.211 -0.996 . . . . 0.0 112.957 -173.485 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.59 ' CE1' HD13 ' A' ' 27' ' ' LEU . 4.2 m-85 -131.83 139.88 48.97 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.126 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.74 -21.26 38.0 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.363 0.602 . . . . 0.0 109.889 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.1 mtp85 -121.7 134.4 54.96 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.686 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.09 -26.33 68.78 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.554 -1.203 . . . . 0.0 110.325 178.216 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -46.37 83.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.134 175.015 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.579 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -62.95 -34.29 77.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.173 177.59 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.59 HD13 ' CE1' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -55.89 -59.25 5.15 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.847 175.215 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.43 -39.18 69.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.475 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 26' ' ' HIS . 88.6 mt -56.66 -46.3 81.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.296 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -71.98 -36.3 69.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.169 0.509 . . . . 0.0 110.151 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.543 ' HG3' HD12 ' A' ' 27' ' ' LEU . 11.9 mtp-105 -72.4 -2.61 20.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.947 -173.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.76 -37.0 77.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.192 0.52 . . . . 0.0 110.349 175.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.432 ' HA ' ' HD2' ' A' ' 33' ' ' ARG . 6.3 mmm180 -75.24 -5.21 43.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.08 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.53 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 71.3 m-70 -91.94 -11.37 36.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.168 0.509 . . . . 0.0 110.127 176.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 40.8 mtt -85.68 -22.02 28.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.064 176.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -127.64 65.7 1.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.646 178.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.476 HG13 ' HA ' ' A' ' 34' ' ' HIS . 1.9 m . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.537 -0.744 . . . . 0.0 110.842 -177.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 111.837 -0.505 . . . . 0.0 111.837 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m 59.8 -152.6 0.39 Allowed 'General case' 0 C--O 1.236 0.346 0 C-N-CA 122.355 0.262 . . . . 0.0 110.691 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.586 ' H ' ' HB2' ' A' ' 18' ' ' ASP . 0.2 OUTLIER 55.97 30.92 16.96 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.999 0.428 . . . . 0.0 111.636 179.204 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 4' ' ' ARG . 2.4 mtm180 -96.08 122.64 39.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.138 -177.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 77.76 -88.34 1.05 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.53 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.72 141.99 42.54 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.848 0.356 . . . . 0.0 110.265 178.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.37 74.61 0.88 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.656 -177.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.667 ' HA2' ' NE2' ' A' ' 13' ' ' GLN . . . 63.32 33.07 86.25 Favored Glycine 0 CA--C 1.509 -0.337 0 CA-C-N 115.73 -0.668 . . . . 0.0 113.312 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.509 ' O ' ' HB3' ' A' ' 20' ' ' SER . 9.0 mt -78.34 160.69 4.51 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-N 115.624 -0.288 . . . . 0.0 110.296 176.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.911 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.1 OUTLIER 62.53 147.35 0.09 OUTLIER Pre-proline 0 N--CA 1.466 0.346 0 CA-C-O 121.341 0.591 . . . . 0.0 112.087 177.866 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -64.39 -15.86 51.97 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 122.582 2.188 . . . . 0.0 113.044 -176.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -131.78 95.19 3.66 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.058 0.456 . . . . 0.0 110.633 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.667 ' NE2' ' HA2' ' A' ' 8' ' ' GLY . 1.3 pt20 -100.29 157.09 16.86 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.888 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.633 ' HB3' ' H ' ' A' ' 19' ' ' ARG . 37.2 t -72.26 127.96 89.56 Favored Pre-proline 0 N--CA 1.454 -0.242 0 C-N-CA 120.362 -0.535 . . . . 0.0 109.658 173.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -79.08 3.87 7.04 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.375 2.05 . . . . 0.0 112.312 178.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -113.13 -41.97 3.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.759 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.51 ' HB2' ' HG2' ' A' ' 19' ' ' ARG . 32.7 m -105.65 -32.59 8.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.731 -177.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.586 ' HB2' ' H ' ' A' ' 3' ' ' THR . 1.2 t0 78.56 48.65 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.472 -169.399 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.633 ' H ' ' HB3' ' A' ' 14' ' ' CYS . 4.3 mtm180 -80.78 -168.06 1.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.698 -1.137 . . . . 0.0 108.227 172.397 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.911 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -153.27 126.52 8.56 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 119.784 -0.766 . . . . 0.0 111.865 178.515 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.465 ' CE1' HD13 ' A' ' 27' ' ' LEU . 10.1 m-85 -134.1 142.68 47.61 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.839 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.4 -27.27 56.25 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.147 0.499 . . . . 0.0 110.113 177.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.4 mtp85 -109.52 137.24 47.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.9 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 t -65.2 -28.01 69.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.816 175.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.493 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -64.97 -39.81 94.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.905 178.25 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.453 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -69.77 -33.84 72.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.648 178.316 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.519 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.34 -58.29 8.34 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.6 174.922 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.454 ' O ' ' HD2' ' A' ' 32' ' ' LYS . . . -55.1 -39.39 69.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.764 -178.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 25' ' ' ASP . 96.2 mt -57.51 -49.03 77.65 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.796 0.332 . . . . 0.0 110.91 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -67.5 -36.68 81.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.36 0.6 . . . . 0.0 110.223 177.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.519 ' HG3' HD12 ' A' ' 27' ' ' LEU . 7.2 mtp-105 -73.5 2.22 8.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.841 -174.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.454 ' HD2' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -65.66 -29.09 69.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.26 0.552 . . . . 0.0 109.972 176.113 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.22 -3.64 46.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.596 177.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.478 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 72.5 m-70 -100.8 -1.22 35.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.26 0.552 . . . . 0.0 110.17 178.23 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.9 mtt -82.05 -31.55 30.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.129 174.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.49 94.15 3.99 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.067 -0.97 . . . . 0.0 108.869 174.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.0 t . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.65 -0.69 . . . . 0.0 110.699 -175.184 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.567 0 N-CA-C 112.33 -0.308 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.671 ' HA ' ' HB2' ' A' ' 18' ' ' ASP . 0.7 OUTLIER -96.61 157.74 15.76 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 177.502 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.53 HG23 ' HB3' ' A' ' 18' ' ' ASP . 17.8 p -129.32 -159.47 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 52.5 mtm-85 -82.99 54.94 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.145 0.497 . . . . 0.0 110.463 177.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -151.74 -85.75 0.05 OUTLIER Glycine 0 N--CA 1.444 -0.82 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.749 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.24 110.37 22.71 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.024 0.44 . . . . 0.0 110.119 176.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.405 ' HA ' ' HB3' ' A' ' 2' ' ' SER . 0.0 OUTLIER -82.22 74.63 9.18 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.394 0.616 . . . . 0.0 111.364 -173.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.46 43.59 90.35 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 114.838 -1.074 . . . . 0.0 113.844 175.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.404 ' H ' HG13 ' A' ' 9' ' ' ILE . 4.1 mt -76.69 160.25 4.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 174.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.781 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER 63.05 147.52 0.09 OUTLIER Pre-proline 0 N--CA 1.468 0.427 0 CA-C-O 121.298 0.57 . . . . 0.0 111.849 178.702 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.84 -25.59 79.81 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.661 2.241 . . . . 0.0 112.775 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -130.04 92.81 3.37 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 120.876 0.369 . . . . 0.0 110.983 -177.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.604 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 2.6 pt20 -98.59 158.41 15.62 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.39 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.553 ' SG ' ' HB2' ' A' ' 16' ' ' ASP . 49.4 t -75.24 123.19 88.62 Favored Pre-proline 0 C--N 1.332 -0.178 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 175.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -74.04 -3.51 13.9 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 122.293 1.995 . . . . 0.0 112.104 176.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.553 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -103.92 -33.23 8.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.472 -178.422 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 86.1 m -113.78 -33.17 5.89 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -174.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.671 ' HB2' ' HA ' ' A' ' 2' ' ' SER . 0.0 OUTLIER 83.76 18.85 0.2 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.656 1.182 . . . . 0.0 110.055 -169.464 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.604 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 7.8 mtp85 -61.64 179.03 0.27 Allowed 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 115.003 -0.998 . . . . 0.0 110.057 171.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.781 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -145.84 130.42 17.89 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.802 -0.759 . . . . 0.0 112.548 -177.896 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -136.49 146.84 46.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.007 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.48 -14.74 39.59 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.305 0.574 . . . . 0.0 109.869 178.16 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.544 ' HB2' ' HB2' ' A' ' 26' ' ' HIS . 57.1 mtp85 -114.89 134.02 55.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.735 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -28.42 69.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.453 173.225 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.415 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -66.04 -49.16 68.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.575 177.011 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.544 ' HB2' ' HB2' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -64.44 -33.72 76.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.632 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.446 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.86 -61.25 2.49 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.612 172.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.486 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -55.98 -41.95 75.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.246 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 25' ' ' ASP . 58.6 mt -54.31 -42.26 69.92 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.773 0.321 . . . . 0.0 111.1 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -72.58 -40.65 66.43 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.245 0.545 . . . . 0.0 109.948 175.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.446 ' HG3' HD12 ' A' ' 27' ' ' LEU . 36.2 mtp180 -74.73 1.63 11.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.617 -175.055 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.486 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -68.92 -25.56 64.64 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 172.866 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -75.92 -16.63 59.99 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.49 176.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.51 ' HA ' HG23 ' A' ' 37' ' ' VAL . 69.9 m-70 -86.4 -5.19 59.22 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.5 179.023 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 90.4 mtp -82.94 -6.76 59.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.28 176.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.38 53.54 1.63 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 176.01 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.51 HG23 ' HA ' ' A' ' 34' ' ' HIS . 2.4 t . . . . . 0 C--O 1.249 1.035 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.682 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.587 0 N-CA-C 112.045 -0.422 . . . . 0.0 112.045 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.33 170.77 11.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.692 0.282 . . . . 0.0 111.224 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.611 ' HA ' ' CB ' ' A' ' 18' ' ' ASP . 10.0 m 80.24 97.01 0.05 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.756 -176.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.25 -59.25 2.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.073 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 162.04 33.52 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.777 177.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -93.48 -127.86 0.11 Allowed 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 173.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -121.48 76.14 1.23 Allowed 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 120.897 0.379 . . . . 0.0 110.665 175.034 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.546 ' HA2' ' O ' ' A' ' 19' ' ' ARG . . . -77.41 54.12 3.6 Favored Glycine 0 C--N 1.334 0.457 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.396 -178.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.511 ' O ' ' HB3' ' A' ' 20' ' ' SER . 0.7 OUTLIER -77.79 170.6 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 115.167 -0.517 . . . . 0.0 110.143 178.04 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.456 ' H ' HG22 ' A' ' 9' ' ' ILE . 0.0 OUTLIER 69.18 147.43 0.12 Allowed Pre-proline 0 CA--C 1.53 0.18 0 CA-C-O 121.101 0.477 . . . . 0.0 111.345 177.018 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.15 -19.93 59.1 Favored 'Trans proline' 0 CA--C 1.528 0.193 0 C-N-CA 122.989 2.459 . . . . 0.0 112.623 -177.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.444 ' HB2' ' O ' ' A' ' 21' ' ' PHE . 37.6 m-85 -117.54 84.45 2.16 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.218 0.532 . . . . 0.0 111.193 -178.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.571 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -101.05 156.9 17.15 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 175.667 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.448 ' HA ' HD11 ' A' ' 27' ' ' LEU . 43.7 t -68.52 128.35 93.04 Favored Pre-proline 0 N--CA 1.451 -0.389 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 175.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -73.07 -5.56 17.41 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.505 2.137 . . . . 0.0 112.127 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.04 -32.68 7.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.789 0.328 . . . . 0.0 110.941 -178.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.7 m -110.6 -32.71 6.8 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -173.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.611 ' CB ' ' HA ' ' A' ' 3' ' ' THR . 0.0 OUTLIER 70.28 50.99 0.39 Allowed 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 123.63 1.681 . . . . 0.0 109.5 -171.513 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.571 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 2.3 mtp85 -85.4 -155.11 0.21 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 113.096 -1.866 . . . . 0.0 109.327 172.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.511 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -153.6 123.91 7.04 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.167 -0.613 . . . . 0.0 112.415 179.07 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.472 ' CD1' HD13 ' A' ' 27' ' ' LEU . 13.7 m-85 -137.26 131.85 32.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.736 178.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.84 -22.88 58.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.111 0.482 . . . . 0.0 109.893 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.1 mtp85 -116.3 137.33 52.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.804 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.62 -25.49 67.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.968 174.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -39.27 87.43 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.58 176.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.799 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -73.19 -32.36 64.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.672 178.136 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.472 HD13 ' CD1' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -55.14 -57.7 10.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.798 173.539 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.521 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -55.11 -37.81 67.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.779 -178.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.799 HD12 ' HA ' ' A' ' 26' ' ' HIS . 23.2 mt -57.46 -41.47 80.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.671 0.272 . . . . 0.0 111.169 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -75.48 -39.79 58.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.13 0.49 . . . . 0.0 110.234 175.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.519 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 16.8 mtp-105 -71.01 -1.15 11.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.922 -173.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.521 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 0.7 OUTLIER -62.15 -30.85 71.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.127 0.489 . . . . 0.0 110.055 174.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -18.21 62.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.16 177.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.519 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 95.1 m-70 -94.71 -2.61 50.81 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.811 177.462 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.5 mtp -108.43 -24.22 11.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.197 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.7 mt -108.19 53.27 0.69 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 174.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.694 -177.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.456 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.13 178.98 4.41 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 122.931 -0.158 . . . . 0.0 110.777 -178.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 6' ' ' SER . 18.6 m -39.83 138.91 0.7 Allowed 'General case' 0 C--O 1.235 0.332 0 O-C-N 124.012 0.82 . . . . 0.0 112.828 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -143.28 44.04 1.54 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.829 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 128.3 -24.61 4.98 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.754 -0.736 . . . . 0.0 113.031 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.641 ' HB3' HD12 ' A' ' 9' ' ' ILE . 0.9 OUTLIER -133.84 119.1 18.76 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.441 -0.446 . . . . 0.0 111.214 -176.226 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.02 74.21 10.27 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.916 0.389 . . . . 0.0 111.816 -175.045 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.52 ' HA2' ' OE1' ' A' ' 13' ' ' GLN . . . 59.01 38.98 93.69 Favored Glycine 0 CA--C 1.508 -0.379 0 CA-C-N 115.831 -0.622 . . . . 0.0 113.068 176.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.641 HD12 ' HB3' ' A' ' 6' ' ' SER . 5.0 mt -78.42 162.88 3.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-N 115.571 -0.315 . . . . 0.0 110.448 177.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.581 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.1 OUTLIER 67.61 146.06 0.11 Allowed Pre-proline 0 N--CA 1.47 0.553 0 CA-C-O 121.253 0.549 . . . . 0.0 111.961 177.529 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -74.31 -12.68 23.1 Favored 'Trans proline' 0 CA--C 1.529 0.235 0 C-N-CA 122.668 2.245 . . . . 0.0 112.716 -177.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -124.53 90.17 3.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.868 0.366 . . . . 0.0 110.38 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.728 ' HG2' ' HA ' ' A' ' 20' ' ' SER . 2.7 mt-30 -111.04 161.91 15.41 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 120.889 0.375 . . . . 0.0 111.257 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.472 ' HB3' ' H ' ' A' ' 19' ' ' ARG . 44.3 t -75.13 122.01 86.49 Favored Pre-proline 0 N--CA 1.446 -0.644 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.312 173.416 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.33 -2.89 12.38 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.436 2.091 . . . . 0.0 112.088 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -110.85 -32.27 6.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.908 -177.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.608 ' HB2' ' HG3' ' A' ' 19' ' ' ARG . 59.3 m -112.06 -32.24 6.63 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -175.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.436 ' HB2' ' O ' ' A' ' 17' ' ' CYS . 0.2 OUTLIER 81.32 34.03 0.11 Allowed 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.862 0.839 . . . . 0.0 108.749 -166.611 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.639 HH21 ' HB2' ' A' ' 30' ' ' HIS . 3.7 mtm180 -83.21 142.6 31.05 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 114.512 -1.222 . . . . 0.0 107.902 171.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.728 ' HA ' ' HG2' ' A' ' 13' ' ' GLN . 0.3 OUTLIER -117.71 138.43 52.02 Favored 'General case' 0 C--N 1.311 -1.084 0 C-N-CA 119.9 -0.72 . . . . 0.0 112.941 -172.278 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.455 ' CE1' HD13 ' A' ' 27' ' ' LEU . 8.3 m-85 -137.55 141.05 41.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.421 -178.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.26 -21.31 29.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.338 0.59 . . . . 0.0 109.926 177.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.7 mtm-85 -111.12 131.25 55.24 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.455 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -25.73 67.53 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.457 -1.247 . . . . 0.0 111.079 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -72.82 -38.02 67.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.531 177.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.548 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -61.91 -31.41 71.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.739 179.102 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.455 HD13 ' CE1' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -55.4 -62.93 1.35 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.056 174.625 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.461 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -55.45 -38.65 69.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.256 -0.883 . . . . 0.0 111.702 -178.249 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 26' ' ' HIS . 84.9 mt -55.36 -45.49 76.49 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.915 0.388 . . . . 0.0 111.239 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.639 ' HB2' HH21 ' A' ' 19' ' ' ARG . 13.1 t60 -72.95 -38.96 66.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.289 0.566 . . . . 0.0 110.271 177.307 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.621 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 21.6 mtp-105 -73.12 7.05 2.33 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.519 -173.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.541 ' HE2' ' HA ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -68.84 -26.31 65.09 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 174.233 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.534 ' HD2' ' HA ' ' A' ' 33' ' ' ARG . 3.1 mmm-85 -82.19 6.32 16.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.335 175.429 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.621 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 88.8 m-70 -116.47 29.96 7.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.883 178.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.412 ' C ' ' HG ' ' A' ' 36' ' ' LEU . 22.6 mtt -106.32 -40.56 5.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.686 -177.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.412 ' HG ' ' C ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -143.98 52.42 1.3 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 177.246 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.149 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.651 -178.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.648 0 N-CA-C 111.897 -0.481 . . . . 0.0 111.897 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.421 ' HA ' ' OD2' ' A' ' 18' ' ' ASP . 0.9 OUTLIER -79.03 147.38 32.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.472 0.177 . . . . 0.0 110.848 -179.064 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.448 ' H ' ' CG ' ' A' ' 18' ' ' ASP . 1.4 m 59.36 49.56 8.71 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.392 0.615 . . . . 0.0 110.906 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.56 135.23 37.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.986 -179.386 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.34 -97.14 0.13 Allowed Glycine 0 C--N 1.329 0.193 0 CA-C-N 116.115 -0.493 . . . . 0.0 113.139 177.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.26 11.1 4.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.368 0.604 . . . . 0.0 110.001 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.91 96.15 7.65 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.995 175.425 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 135.4 41.92 0.13 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.162 -0.542 . . . . 0.0 112.098 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.431 ' H ' HG13 ' A' ' 9' ' ' ILE . 1.5 mt -76.68 164.36 3.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 176.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.684 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER 71.4 147.13 0.12 Allowed Pre-proline 0 N--CA 1.467 0.386 0 CA-C-O 121.145 0.498 . . . . 0.0 111.36 179.093 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -62.57 -18.41 63.47 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.812 2.341 . . . . 0.0 112.387 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -122.82 78.87 1.58 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.095 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -94.6 156.37 16.46 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 175.924 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.586 ' HA ' HD11 ' A' ' 27' ' ' LEU . 43.9 t -67.2 125.81 91.57 Favored Pre-proline 0 C--N 1.327 -0.399 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.583 177.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -71.95 -3.27 12.9 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.295 1.997 . . . . 0.0 112.336 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -112.72 -33.04 6.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.743 0.306 . . . . 0.0 111.411 -179.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 18' ' ' ASP . 61.1 m -107.94 -31.93 7.78 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -177.194 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.448 ' CG ' ' H ' ' A' ' 3' ' ' THR . 1.0 OUTLIER 75.47 49.12 0.08 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.946 -173.031 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.423 ' HB3' ' H ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -84.59 -148.02 0.1 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.043 177.873 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.684 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -157.46 122.29 4.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.094 0.473 . . . . 0.0 111.59 177.926 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.41 ' CD1' HD13 ' A' ' 27' ' ' LEU . 12.5 m-85 -137.8 134.59 35.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.097 178.227 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.38 -20.84 33.48 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.301 0.572 . . . . 0.0 109.759 -179.335 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.89 135.26 50.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.236 177.06 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -28.35 69.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.336 0.589 . . . . 0.0 109.629 173.589 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.5 -47.43 81.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.36 175.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.621 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -59.71 -38.37 81.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.754 178.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.586 HD11 ' HA ' ' A' ' 14' ' ' CYS . 0.3 OUTLIER -55.29 -60.38 3.47 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.984 174.817 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.35 -37.15 67.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.996 -177.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 26' ' ' HIS . 78.5 mt -58.59 -44.84 89.98 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.944 0.402 . . . . 0.0 111.259 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -71.57 -36.41 70.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.27 0.557 . . . . 0.0 110.018 178.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.505 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 15.0 mtp-105 -74.99 2.33 10.74 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.763 -174.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -39.17 81.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.782 179.208 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 33' ' ' ARG . 1.4 ttp-105 -84.1 6.83 20.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.621 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.505 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 31.4 m-70 -93.89 -0.27 55.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.1 0.476 . . . . 0.0 110.343 177.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.1 mtp -74.79 -54.72 6.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.397 174.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.515 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -142.02 106.08 4.76 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.023 176.695 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.7 p . . . . . 0 C--O 1.253 1.239 0 CA-C-O 118.545 -0.741 . . . . 0.0 110.516 -175.906 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.834 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.25 115.58 6.21 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 117.084 0.442 . . . . 0.0 110.253 178.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.0 p -72.74 3.35 5.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.039 0.447 . . . . 0.0 111.362 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.06 45.2 24.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.196 -179.051 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -174.12 -86.23 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.299 -178.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.449 ' HB2' ' OG ' ' A' ' 20' ' ' SER . 4.5 p -70.8 100.61 1.94 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 176.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.68 73.41 10.26 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -175.041 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.0 45.01 51.16 Favored Glycine 0 C--N 1.334 0.431 0 CA-C-N 116.002 -0.544 . . . . 0.0 113.113 177.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.621 ' O ' ' HB3' ' A' ' 20' ' ' SER . 1.1 mt -77.22 166.88 2.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 177.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.497 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER 69.03 148.13 0.12 Allowed Pre-proline 0 N--CA 1.465 0.3 0 CA-C-O 121.144 0.497 . . . . 0.0 111.586 177.223 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.69 -10.43 22.22 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -128.95 90.6 3.06 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.029 0.442 . . . . 0.0 110.435 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.67 153.23 23.72 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.101 179.589 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.402 ' HA ' HD11 ' A' ' 27' ' ' LEU . 40.1 t -68.02 128.41 93.3 Favored Pre-proline 0 N--CA 1.453 -0.279 0 C-N-CA 120.554 -0.458 . . . . 0.0 109.94 178.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -76.07 -5.15 16.0 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.403 2.069 . . . . 0.0 112.442 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -108.24 -40.4 5.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.846 0.355 . . . . 0.0 110.87 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.446 ' HB2' ' CG ' ' A' ' 19' ' ' ARG . 18.0 m -106.33 -32.89 7.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.241 -176.151 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 84.23 24.43 0.11 Allowed 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.956 1.41 . . . . 0.0 110.879 -175.298 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.446 ' CG ' ' HB2' ' A' ' 17' ' ' CYS . 5.5 mtm180 -64.17 171.24 3.11 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 114.926 -1.033 . . . . 0.0 110.037 170.522 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.621 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -128.64 139.01 52.47 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -178.126 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.546 ' CD1' HD13 ' A' ' 27' ' ' LEU . 43.7 m-85 -142.72 131.8 23.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.124 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.51 -34.1 71.94 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.165 0.507 . . . . 0.0 110.099 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 23' ' ' ARG . 5.5 mtm-85 -106.9 140.24 40.03 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.381 178.535 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.17 -26.44 68.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.574 0.702 . . . . 0.0 109.279 174.134 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.508 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -65.17 -39.72 93.31 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.643 176.013 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.573 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -68.74 -36.43 78.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.434 177.467 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.551 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.77 -59.35 4.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.083 175.417 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.577 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -55.42 -37.25 67.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.834 -177.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.573 HD12 ' HA ' ' A' ' 26' ' ' HIS . 95.0 mt -55.13 -45.13 75.56 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.95 0.405 . . . . 0.0 110.739 178.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.419 ' HB2' HH21 ' A' ' 19' ' ' ARG . 14.3 t60 -75.62 -35.84 60.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.256 0.55 . . . . 0.0 110.269 177.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.551 ' HG3' HD12 ' A' ' 27' ' ' LEU . 12.8 mtp-105 -75.71 0.83 16.41 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.232 -173.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.577 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 3.3 mptt -61.42 -31.39 71.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.426 178.357 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -85.5 6.08 28.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.964 178.267 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.457 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 67.1 m-70 -109.54 7.18 24.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.074 0.464 . . . . 0.0 110.219 177.641 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.483 ' C ' ' HG ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -76.02 -58.21 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.656 -178.148 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.483 ' HG ' ' C ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -149.16 53.47 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 178.38 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.2 t . . . . . 0 C--O 1.248 1.025 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.826 -177.829 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.723 0 N-CA-C 111.969 -0.452 . . . . 0.0 111.969 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.477 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 0.7 OUTLIER -85.25 106.91 17.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.773 0.321 . . . . 0.0 110.559 -179.734 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.436 ' O ' ' HB2' ' A' ' 4' ' ' ARG . 0.8 OUTLIER 56.06 -135.46 1.27 Allowed 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.404 179.831 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' A' ' 3' ' ' THR . 4.9 mtp180 71.27 79.53 0.16 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.382 0.61 . . . . 0.0 110.275 -176.219 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.16 -90.76 0.62 Allowed Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.469 -176.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.62 144.03 26.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.888 0.375 . . . . 0.0 110.351 176.567 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.4 p -85.39 95.24 9.18 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.087 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.02 75.37 1.2 Allowed Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.965 -176.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.437 ' HB ' ' HB3' ' A' ' 20' ' ' SER . 1.2 mt -72.52 161.62 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.282 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.564 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER 66.21 149.29 0.12 Allowed Pre-proline 0 CA--C 1.535 0.373 0 CA-C-O 121.083 0.468 . . . . 0.0 111.272 179.334 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -58.56 -21.26 53.89 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.905 2.403 . . . . 0.0 113.178 -175.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -127.26 91.08 3.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.008 0.433 . . . . 0.0 111.13 -178.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.9 pm0 -100.67 154.29 18.72 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.103 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.42 ' HA ' HD11 ' A' ' 27' ' ' LEU . 41.3 t -70.11 132.26 88.36 Favored Pre-proline 0 C--N 1.329 -0.32 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.012 177.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.01 -6.11 16.41 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.61 2.207 . . . . 0.0 112.897 178.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -112.16 -33.21 6.3 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.843 0.354 . . . . 0.0 111.219 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.413 ' HB2' ' HG2' ' A' ' 19' ' ' ARG . 32.5 m -107.11 -32.25 7.91 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -177.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.7 t70 79.07 40.66 0.1 Allowed 'General case' 0 N--CA 1.469 0.485 0 O-C-N 123.896 0.748 . . . . 0.0 110.233 -175.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.542 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . 3.8 mtm180 -76.71 -158.75 0.11 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.284 178.185 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.564 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -150.7 120.61 7.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.345 0.593 . . . . 0.0 112.227 178.776 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 14.9 m-85 -133.96 141.79 47.43 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.694 178.62 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.03 -21.14 27.91 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.484 0.659 . . . . 0.0 109.512 178.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.5 mtp85 -117.08 135.01 54.05 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.518 178.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -27.82 69.06 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 114.757 -1.11 . . . . 0.0 109.783 175.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.592 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -62.51 -42.65 99.65 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.29 175.051 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.533 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -69.31 -35.25 75.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.735 177.775 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.493 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -55.76 -58.81 6.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.56 173.73 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.405 ' O ' ' HD2' ' A' ' 32' ' ' LYS . . . -55.6 -36.31 66.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.736 -179.102 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 25' ' ' ASP . 95.7 mt -58.68 -42.13 87.79 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.924 0.393 . . . . 0.0 110.73 178.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.418 ' HB2' HH21 ' A' ' 19' ' ' ARG . 12.4 t60 -74.97 -35.54 62.07 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.246 0.546 . . . . 0.0 110.212 176.667 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.553 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 22.2 mtp-105 -78.37 3.27 16.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.262 -172.642 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.405 ' HD2' ' O ' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -57.58 -41.76 81.76 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.126 0.489 . . . . 0.0 110.824 178.034 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.961 ' HA ' HD12 ' A' ' 36' ' ' LEU . 4.3 mtm180 -71.96 -14.45 61.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.194 -179.569 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.553 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 70.5 m-70 -84.51 -9.81 58.01 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.295 178.657 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 30.1 mtt -95.31 0.56 53.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.838 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.961 HD12 ' HA ' ' A' ' 33' ' ' ARG . 2.0 mt -108.75 70.34 0.74 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.183 177.124 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.409 HG22 ' H ' ' A' ' 37' ' ' VAL . 2.6 m . . . . . 0 C--O 1.248 1.009 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.596 -175.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.785 0 N-CA-C 112.121 -0.392 . . . . 0.0 112.121 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.38 150.0 42.1 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.045 0.45 . . . . 0.0 111.089 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.677 ' HB ' ' HB ' ' A' ' 7' ' ' THR . 0.2 OUTLIER -127.24 165.93 18.71 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.674 -177.703 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.15 -169.21 1.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.528 0.204 . . . . 0.0 110.458 177.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 71.76 -99.83 0.87 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.279 -0.486 . . . . 0.0 113.209 175.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.47 2.01 3.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.536 0.684 . . . . 0.0 110.265 -177.225 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.677 ' HB ' ' HB ' ' A' ' 3' ' ' THR . 0.0 OUTLIER -90.99 100.28 13.17 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.627 -1.17 . . . . 0.0 109.762 175.403 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.464 ' HA2' ' OE1' ' A' ' 13' ' ' GLN . . . 125.74 65.03 0.17 Allowed Glycine 0 N--CA 1.442 -0.913 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.836 -172.041 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.57 ' O ' ' HB3' ' A' ' 20' ' ' SER . 1.7 mt -77.33 175.27 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 122.198 0.199 . . . . 0.0 110.537 177.53 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.629 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 0.4 OUTLIER 69.21 144.87 0.1 Allowed Pre-proline 0 N--CA 1.454 -0.241 0 CA-C-O 121.924 0.868 . . . . 0.0 112.754 174.666 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 31.2 Cg_exo -61.16 -32.56 91.11 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 123.758 2.972 . . . . 0.0 112.268 -178.557 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -117.53 83.77 2.05 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.606 0.717 . . . . 0.0 110.808 -177.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.752 ' HG2' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -83.65 152.74 24.62 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.4 179.542 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.476 ' SG ' ' HB2' ' A' ' 16' ' ' ASP . 37.7 t -77.19 117.45 65.3 Favored Pre-proline 0 N--CA 1.451 -0.4 0 C-N-CA 119.37 -0.932 . . . . 0.0 109.217 165.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -72.98 -2.19 11.62 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.234 1.956 . . . . 0.0 111.508 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.476 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 1.7 m-20 -105.45 -18.1 14.22 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.925 -176.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.3 m -127.49 -33.03 2.37 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -170.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.58 ' HA ' ' OE1' ' A' ' 13' ' ' GLN . 1.8 t70 81.87 15.74 0.48 Allowed 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 -164.023 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.752 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 5.7 mtp85 -71.49 166.97 20.65 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 114.587 -1.188 . . . . 0.0 108.309 168.454 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.629 ' HB2' ' HB2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -144.75 135.12 24.32 Favored 'General case' 0 C--N 1.314 -0.939 0 C-N-CA 119.905 -0.718 . . . . 0.0 112.261 -174.197 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.409 ' CD1' HD13 ' A' ' 27' ' ' LEU . 28.6 m-85 -134.97 146.01 48.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.447 -179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.09 -18.19 31.08 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.415 0.626 . . . . 0.0 109.413 178.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -118.23 137.5 52.98 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.754 178.277 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.41 -26.42 67.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.985 174.346 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -47.9 80.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.744 178.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -34.55 78.32 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.528 178.677 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.525 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.89 -62.17 1.88 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.147 174.521 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.451 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -56.05 -38.18 70.24 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.814 -178.096 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.434 ' O ' ' HB2' ' A' ' 32' ' ' LYS . 55.6 mt -56.98 -50.01 73.98 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 120.892 0.377 . . . . 0.0 110.705 178.208 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.414 ' CD2' ' HE ' ' A' ' 19' ' ' ARG . 7.1 t60 -67.08 -37.41 83.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.562 178.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.525 ' HG3' HD12 ' A' ' 27' ' ' LEU . 14.7 mtp-105 -73.14 -1.24 16.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.643 -174.391 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -63.06 -28.19 69.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.104 0.478 . . . . 0.0 110.224 174.537 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -80.62 -6.27 58.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.909 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -95.21 -0.83 52.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.158 0.504 . . . . 0.0 110.15 179.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.0 mtt -82.2 -16.14 50.71 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 171.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.8 mt -122.34 54.62 1.18 Allowed 'General case' 0 C--O 1.234 0.289 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.815 172.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 C--O 1.249 1.068 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.446 -176.975 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 17' ' ' CYS . . . . . . . . 0 N--CA 1.484 1.871 0 N-CA-C 112.168 -0.373 . . . . 0.0 112.168 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m 58.07 65.19 1.34 Allowed 'General case' 0 C--O 1.235 0.321 0 C-N-CA 122.993 0.517 . . . . 0.0 111.6 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.437 HG21 ' HA ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -75.49 65.46 1.74 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.596 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.436 ' HB3' ' H ' ' A' ' 5' ' ' GLY . 3.7 mpt_? 59.44 -106.65 0.3 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.766 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.436 ' H ' ' HB3' ' A' ' 4' ' ' ARG . . . -117.08 -44.58 0.57 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.295 -178.394 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.94 79.69 8.4 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.158 0.504 . . . . 0.0 109.901 177.509 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.84 74.92 10.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.301 -174.234 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.616 ' HA2' ' HG2' ' A' ' 13' ' ' GLN . . . 130.61 54.09 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.614 -0.803 . . . . 0.0 113.05 178.156 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.416 ' O ' ' HB3' ' A' ' 20' ' ' SER . 2.1 mt -77.84 164.43 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 174.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.769 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 8.8 mttt 64.84 147.81 0.1 Allowed Pre-proline 0 N--CA 1.471 0.624 0 CA-C-O 121.37 0.605 . . . . 0.0 112.361 173.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -62.13 -15.02 41.33 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 123.033 2.489 . . . . 0.0 113.8 -175.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.476 ' HB2' ' O ' ' A' ' 21' ' ' PHE . 47.5 m-85 -124.87 89.83 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.971 0.415 . . . . 0.0 110.966 -178.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.616 ' HG2' ' HA2' ' A' ' 8' ' ' GLY . 1.6 mt-30 -95.57 166.78 11.68 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.101 177.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.6 t -75.79 128.6 83.22 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 114.955 -1.02 . . . . 0.0 109.022 167.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -76.37 -10.33 19.02 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 122.174 1.916 . . . . 0.0 112.49 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -104.8 -39.86 6.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.971 0.415 . . . . 0.0 110.96 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 18' ' ' ASP . 61.1 m -96.25 -31.94 12.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.936 -0.574 . . . . 0.0 112.297 -175.264 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 17' ' ' CYS . 0.5 OUTLIER 78.23 30.68 0.41 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.448 -171.353 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.437 ' HA ' HG21 ' A' ' 3' ' ' THR . 2.3 mtp85 -72.55 -168.67 0.46 Allowed 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 114.759 -1.109 . . . . 0.0 109.363 174.682 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.769 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -150.27 124.03 9.21 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 119.49 -0.884 . . . . 0.0 112.774 -175.385 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.476 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 3.8 m-85 -134.8 132.89 39.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.224 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.41 -24.94 42.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.16 0.505 . . . . 0.0 110.358 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -115.1 132.84 56.47 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.837 176.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -21.04 66.25 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.846 -178.333 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.433 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 2.7 t70 -64.79 -47.41 78.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.753 173.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.629 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -58.94 -35.61 73.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.071 177.423 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.561 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.66 -61.52 2.3 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 175.16 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.533 ' O ' ' HD2' ' A' ' 32' ' ' LYS . . . -55.79 -41.01 73.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.534 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 26' ' ' HIS . 89.6 mt -52.74 -45.39 66.99 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.956 0.408 . . . . 0.0 111.153 179.101 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -75.01 -37.79 61.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.298 0.57 . . . . 0.0 109.883 177.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.565 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 8.2 mtp-105 -74.48 -4.02 34.22 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.152 -173.36 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.533 ' HD2' ' O ' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -63.81 -33.71 76.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.116 0.484 . . . . 0.0 109.769 178.03 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.47 -4.17 47.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.109 177.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.565 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 39.8 m-70 -88.54 20.81 3.2 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.199 0.523 . . . . 0.0 110.189 176.42 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.3 mtt -83.05 -4.85 58.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.548 175.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.45 52.67 1.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 176.115 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.7 t . . . . . 0 C--O 1.247 0.966 0 CA-C-N 114.438 -1.255 . . . . 0.0 111.069 -175.88 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.742 0 N-CA-C 111.599 -0.6 . . . . 0.0 111.599 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.775 ' HA ' ' HB2' ' A' ' 18' ' ' ASP . 0.8 OUTLIER -61.24 124.61 21.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.94 0.37 . . . . 0.0 110.692 179.07 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.467 ' H ' ' HB2' ' A' ' 18' ' ' ASP . 0.2 OUTLIER 60.08 63.5 1.42 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.468 -174.423 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.24 -22.43 62.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.602 -175.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.14 78.51 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.193 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 60.32 -80.07 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 123.855 0.862 . . . . 0.0 112.027 178.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.463 HG22 ' H ' ' A' ' 13' ' ' GLN . 1.0 OUTLIER -136.1 95.62 3.24 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.776 176.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.46 -94.28 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.806 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.4 mt -78.68 158.12 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 173.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.887 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.1 OUTLIER 56.71 148.2 0.05 OUTLIER Pre-proline 0 N--CA 1.472 0.644 0 CA-C-O 121.716 0.77 . . . . 0.0 112.82 175.038 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -63.26 -22.22 72.22 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.508 2.139 . . . . 0.0 112.451 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -132.78 91.91 2.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.711 -178.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.736 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -100.26 160.24 14.49 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.455 ' HB3' ' HB2' ' A' ' 19' ' ' ARG . 43.3 t -73.08 125.96 90.68 Favored Pre-proline 0 C--N 1.328 -0.335 0 C-N-CA 120.143 -0.623 . . . . 0.0 109.673 174.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -77.87 -4.24 14.28 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.541 2.16 . . . . 0.0 112.281 178.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -104.73 -36.42 7.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.951 0.405 . . . . 0.0 110.574 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 79.8 m -103.81 -31.98 9.55 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -175.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.775 ' HB2' ' HA ' ' A' ' 2' ' ' SER . 5.0 t70 80.95 37.38 0.09 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.169 -166.621 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.736 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 0.5 OUTLIER -79.21 -159.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.424 175.927 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.887 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -165.44 126.04 1.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.765 178.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -134.62 148.37 50.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.956 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -27.81 41.49 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.941 0.401 . . . . 0.0 110.731 -179.351 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -120.44 135.2 55.12 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-O 121.634 0.73 . . . . 0.0 110.84 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -25.53 68.21 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 114.26 -1.336 . . . . 0.0 110.678 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.525 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -64.13 -41.63 97.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.178 175.906 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.484 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -68.11 -34.11 75.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.778 178.46 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.452 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.55 -59.5 4.75 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.925 173.705 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.457 ' O ' ' HD2' ' A' ' 32' ' ' LYS . . . -55.1 -37.77 67.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.162 -0.927 . . . . 0.0 111.602 -178.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 25' ' ' ASP . 95.7 mt -58.7 -44.44 90.31 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.882 0.373 . . . . 0.0 110.898 179.091 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -72.54 -37.13 68.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.235 0.54 . . . . 0.0 110.16 177.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.452 ' HG3' HD12 ' A' ' 27' ' ' LEU . 24.0 mtp-105 -71.35 -5.8 35.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.53 -175.016 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.457 ' HD2' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -62.16 -31.2 71.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.317 0.579 . . . . 0.0 109.908 175.038 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -15.9 61.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.129 178.066 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 -85.74 1.79 48.12 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.041 -178.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 57.6 mtt -78.41 -9.02 59.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.389 172.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.82 52.35 1.94 Allowed 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.191 -0.913 . . . . 0.0 108.608 174.12 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 t . . . . . 0 C--O 1.252 1.199 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.784 -179.562 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.893 0 N-CA-C 112.002 -0.439 . . . . 0.0 112.002 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m 57.59 56.28 5.04 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.068 0.461 . . . . 0.0 111.086 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.522 ' HB ' ' O ' ' A' ' 7' ' ' THR . 0.2 OUTLIER -84.47 -1.12 55.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.549 -177.358 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.91 89.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.891 -1.05 . . . . 0.0 112.271 176.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 157.73 -125.77 1.61 Allowed Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.11 -39.17 55.79 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 172.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.522 ' O ' ' HB ' ' A' ' 3' ' ' THR . 0.0 OUTLIER -95.3 96.31 9.07 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 113.1 -1.864 . . . . 0.0 107.75 164.258 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.52 ' HA2' ' CD ' ' A' ' 13' ' ' GLN . . . 128.75 47.05 0.17 Allowed Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.444 -172.065 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.657 ' O ' ' HG3' ' A' ' 13' ' ' GLN . 0.8 OUTLIER -77.87 162.76 4.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 175.41 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.521 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER 64.35 147.12 0.1 OUTLIER Pre-proline 0 N--CA 1.468 0.464 0 CA-C-O 121.536 0.684 . . . . 0.0 112.308 173.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -67.19 -16.19 48.09 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.61 2.207 . . . . 0.0 112.977 -177.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -128.51 93.2 3.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.968 0.414 . . . . 0.0 110.768 -178.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.657 ' HG3' ' O ' ' A' ' 9' ' ' ILE . 1.1 mt-30 -105.72 160.7 15.01 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.186 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.3 t -72.25 122.88 88.58 Favored Pre-proline 0 N--CA 1.449 -0.519 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 172.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -73.1 -0.78 9.57 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.417 2.078 . . . . 0.0 112.478 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -115.61 -41.05 3.29 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.615 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.0 m -94.58 -33.17 13.13 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -173.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 76.6 24.05 1.04 Allowed 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.622 0.725 . . . . 0.0 109.248 -165.478 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.523 HH21 ' HB2' ' A' ' 30' ' ' HIS . 5.1 mtp85 -71.35 157.18 38.53 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 114.292 -1.322 . . . . 0.0 108.139 164.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.646 ' HA ' ' HG2' ' A' ' 13' ' ' GLN . 0.5 OUTLIER -129.67 142.95 50.63 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -175.416 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.537 ' CD1' HD13 ' A' ' 27' ' ' LEU . 47.4 m-85 -141.14 143.2 34.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.154 -178.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.17 -20.35 30.37 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.229 0.538 . . . . 0.0 110.395 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.423 HH21 ' CG ' ' A' ' 25' ' ' ASP . 0.8 OUTLIER -124.49 131.49 53.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.859 177.712 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -22.62 65.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.187 0.518 . . . . 0.0 110.644 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.501 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -62.92 -46.37 88.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.274 175.737 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.625 ' HA ' HD12 ' A' ' 29' ' ' LEU . 1.6 m170 -65.37 -35.78 82.0 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.51 176.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.554 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -55.46 -60.63 3.15 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.964 174.873 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.562 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -56.07 -38.16 70.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.694 -178.037 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 26' ' ' HIS . 95.8 mt -55.74 -41.7 74.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.22 0.533 . . . . 0.0 110.622 178.07 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.523 ' HB2' HH21 ' A' ' 19' ' ' ARG . 18.4 t60 -75.18 -41.29 58.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.591 176.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.593 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 37.5 mtp180 -74.42 -8.88 57.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.677 -172.237 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.606 ' HA ' ' SD ' ' A' ' 35' ' ' MET . 2.3 mptt -61.8 -30.83 71.08 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.255 0.55 . . . . 0.0 109.646 176.169 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -72.34 -17.18 61.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.2 177.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.593 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 72.0 m-70 -82.86 -8.92 59.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.062 0.458 . . . . 0.0 110.613 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.606 ' SD ' ' HA ' ' A' ' 32' ' ' LYS . 5.3 mtp -98.1 -9.11 26.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.951 176.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.08 62.79 1.53 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.711 179.299 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.545 -0.741 . . . . 0.0 110.764 -177.641 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.755 0 N-CA-C 111.718 -0.553 . . . . 0.0 111.718 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m -129.04 159.67 35.2 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.807 0.337 . . . . 0.0 110.496 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.6 p -85.71 171.34 11.7 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.539 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.5 76.34 10.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.84 0.353 . . . . 0.0 110.393 178.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 158.77 -79.32 0.17 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 121.036 -0.602 . . . . 0.0 111.699 -177.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.89 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 0.5 OUTLIER -77.35 146.12 36.9 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 176.763 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.45 83.58 4.57 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.157 0.504 . . . . 0.0 111.535 -174.453 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.586 ' HA2' ' O ' ' A' ' 19' ' ' ARG . . . -80.97 60.51 4.66 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.156 -179.482 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.508 HG22 ' H ' ' A' ' 10' ' ' LYS . 2.4 mt -76.29 169.92 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.508 ' H ' HG22 ' A' ' 9' ' ' ILE . 5.1 mttt 72.37 147.0 0.12 Allowed Pre-proline 0 N--CA 1.467 0.381 0 CA-C-O 121.074 0.464 . . . . 0.0 110.779 -179.208 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -61.71 -16.71 50.37 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.742 2.295 . . . . 0.0 112.692 -176.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.435 ' O ' ' HD1' ' A' ' 21' ' ' PHE . 52.9 m-85 -120.19 77.58 1.27 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.069 0.461 . . . . 0.0 111.13 -178.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.438 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -100.33 156.11 17.42 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 176.325 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.542 ' HA ' HD11 ' A' ' 27' ' ' LEU . 44.8 t -69.16 127.55 92.95 Favored Pre-proline 0 C--N 1.327 -0.382 0 C-N-CA 120.547 -0.461 . . . . 0.0 109.864 178.32 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -73.84 -2.46 12.27 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.328 2.019 . . . . 0.0 112.54 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -113.99 -37.55 4.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.891 0.376 . . . . 0.0 111.206 -179.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 39.1 m -102.6 -31.85 10.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.66 -178.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.89 ' HB3' ' HB2' ' A' ' 6' ' ' SER . 1.3 t0 72.42 52.79 0.17 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.033 -173.111 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.586 ' O ' ' HA2' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -85.14 -154.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.439 176.04 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.454 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -153.12 124.42 7.58 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.254 -0.578 . . . . 0.0 112.098 177.399 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.435 ' HD1' ' O ' ' A' ' 12' ' ' PHE . 3.8 m-85 -138.61 135.51 35.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.009 177.259 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.09 -12.35 50.32 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.4 0.619 . . . . 0.0 109.823 178.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.627 ' HB2' ' HB2' ' A' ' 26' ' ' HIS . 7.0 mtm-85 -110.83 131.52 54.98 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.062 -179.15 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -26.33 68.56 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.254 -1.339 . . . . 0.0 111.196 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -81.34 -32.74 32.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.511 178.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.627 ' HB2' ' HB2' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -62.84 -36.54 83.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.638 178.702 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.542 HD11 ' HA ' ' A' ' 14' ' ' CYS . 0.4 OUTLIER -55.63 -60.82 2.9 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.257 0.551 . . . . 0.0 109.817 174.33 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.479 ' O ' ' HD2' ' A' ' 32' ' ' LYS . . . -55.12 -37.25 66.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.876 -1.056 . . . . 0.0 111.812 -178.136 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 26' ' ' HIS . 60.0 mt -54.74 -49.8 69.93 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 123.124 0.265 . . . . 0.0 111.225 178.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -70.64 -36.6 73.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.264 0.554 . . . . 0.0 110.189 177.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.472 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 15.7 mtp-105 -74.71 -4.4 37.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.571 -174.278 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.479 ' HD2' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -62.95 -27.82 69.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.901 0.382 . . . . 0.0 110.023 176.721 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -78.88 -11.71 60.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.791 177.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.472 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 87.7 m-70 -94.78 -5.48 45.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.906 176.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 45.4 mtt -93.41 19.98 7.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.095 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.76 52.02 1.24 Allowed 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.269 -0.878 . . . . 0.0 108.925 176.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.6 t . . . . . 0 C--O 1.249 1.041 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.445 -178.421 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 111.891 -0.483 . . . . 0.0 111.891 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.662 ' HA ' ' O ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -62.61 131.66 49.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.728 0.299 . . . . 0.0 111.352 -177.796 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.486 ' HA ' ' HB2' ' A' ' 18' ' ' ASP . 0.2 OUTLIER 54.53 39.89 31.44 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.138 179.044 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -25.89 59.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.738 0.304 . . . . 0.0 110.648 178.606 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.66 -30.86 7.77 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.399 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m 53.24 35.41 19.99 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.123 0.487 . . . . 0.0 111.361 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.93 73.79 1.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.008 -176.355 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.667 ' HA2' ' HG2' ' A' ' 13' ' ' GLN . . . -79.22 42.71 2.39 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 121.111 -0.566 . . . . 0.0 112.808 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.675 ' O ' ' HB3' ' A' ' 20' ' ' SER . 1.8 mt -78.25 164.77 3.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.135 -0.533 . . . . 0.0 109.796 174.347 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 21' ' ' PHE . 1.2 mttm 67.06 147.98 0.11 Allowed Pre-proline 0 N--CA 1.466 0.348 0 CA-C-O 121.176 0.512 . . . . 0.0 111.898 174.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -63.66 -17.63 60.74 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 122.582 2.188 . . . . 0.0 113.263 -175.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -126.1 92.55 3.6 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.66 0.267 . . . . 0.0 110.851 -177.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.667 ' HG2' ' HA2' ' A' ' 8' ' ' GLY . 1.7 mp0 -95.6 169.4 10.06 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 121.034 -0.266 . . . . 0.0 110.88 177.142 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.575 ' HB3' ' H ' ' A' ' 19' ' ' ARG . 52.0 t -76.87 123.96 87.5 Favored Pre-proline 0 C--N 1.318 -0.783 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.762 166.234 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.64 5.03 5.51 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.405 2.07 . . . . 0.0 112.036 176.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.662 ' O ' ' HA ' ' A' ' 2' ' ' SER . 0.9 OUTLIER -114.2 -40.95 3.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.132 0.491 . . . . 0.0 110.845 -178.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 18' ' ' ASP . 59.0 m -104.23 -31.35 9.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.346 -175.185 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.486 ' HB2' ' HA ' ' A' ' 3' ' ' THR . 0.1 OUTLIER 78.63 43.25 0.08 Allowed 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -166.759 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.575 ' H ' ' HB3' ' A' ' 14' ' ' CYS . 7.2 mtm180 -80.7 -174.41 4.71 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 171.71 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.675 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -147.1 129.28 15.62 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 119.701 -0.8 . . . . 0.0 112.222 178.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.468 ' CD1' HD13 ' A' ' 27' ' ' LEU . 28.6 m-85 -133.95 139.12 45.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.375 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.11 -25.65 31.77 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.465 0.65 . . . . 0.0 109.717 177.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.1 mtp85 -111.83 132.15 54.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.563 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.28 -26.81 68.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.253 177.27 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -68.41 -40.84 81.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.158 177.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.744 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -65.13 -34.68 78.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.718 177.415 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.61 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.27 -62.23 1.81 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.807 175.155 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.6 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -56.22 -35.7 67.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.793 -177.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.744 HD12 ' HA ' ' A' ' 26' ' ' HIS . 51.5 mt -56.19 -45.16 79.91 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.891 0.377 . . . . 0.0 110.963 178.663 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.568 ' HB2' HH21 ' A' ' 19' ' ' ARG . 20.5 t60 -75.8 -37.72 58.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.424 176.636 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.61 ' HG3' HD12 ' A' ' 27' ' ' LEU . 20.0 mtp-105 -72.73 -4.15 29.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.348 -175.319 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.6 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -65.23 -27.18 68.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.964 0.412 . . . . 0.0 110.018 177.349 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -77.07 -8.01 56.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.883 175.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -101.7 1.97 38.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.185 0.517 . . . . 0.0 109.926 178.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.1 mmt -88.29 -23.13 23.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.147 178.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.87 88.99 2.86 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 177.062 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.0 t . . . . . 0 C--O 1.246 0.905 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.249 -176.284 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.421 ' HA3' ' O ' ' A' ' 14' ' ' CYS . . . . . . . . 0 N--CA 1.483 1.832 0 N-CA-C 111.546 -0.622 . . . . 0.0 111.546 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.705 ' HA ' HG23 ' A' ' 7' ' ' THR . 15.3 m 53.85 49.42 19.13 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.614 0.721 . . . . 0.0 110.389 -177.059 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.659 ' HB ' ' HB2' ' A' ' 6' ' ' SER . 0.0 OUTLIER -80.97 37.33 0.43 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.716 -174.217 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.67 68.95 0.78 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.529 176.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 93.22 14.58 53.93 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.147 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.659 ' HB2' ' HB ' ' A' ' 3' ' ' THR . 12.6 m -133.02 36.55 3.46 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.429 0.633 . . . . 0.0 109.956 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.705 HG23 ' HA ' ' A' ' 2' ' ' SER . 0.0 OUTLIER -81.28 96.97 7.45 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.329 177.265 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.29 -94.45 0.01 OUTLIER Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 114.541 -1.209 . . . . 0.0 113.725 -170.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.1 mt -79.31 157.82 4.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.363 -175.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.79 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 3.7 mttt 53.88 147.98 0.04 OUTLIER Pre-proline 0 CA--C 1.543 0.705 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 170.312 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -68.42 -16.58 43.48 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 122.922 2.415 . . . . 0.0 113.208 -177.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -130.18 89.75 2.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.173 0.511 . . . . 0.0 111.036 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.699 ' HG2' ' O ' ' A' ' 19' ' ' ARG . 0.9 OUTLIER -89.63 153.13 20.98 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.086 -178.849 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.476 ' HA ' HD11 ' A' ' 27' ' ' LEU . 36.8 t -70.73 130.39 88.77 Favored Pre-proline 0 N--CA 1.453 -0.318 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 169.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.456 ' HA ' ' HB2' ' A' ' 2' ' ' SER . 61.3 Cg_endo -74.47 -5.02 16.31 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.471 2.114 . . . . 0.0 112.769 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -115.84 -31.77 5.67 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -177.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 86.4 m -104.02 -32.08 9.39 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -174.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 78.96 14.79 1.11 Allowed 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 -167.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.699 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 11.0 mtp85 -62.69 157.91 19.77 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 113.973 -1.467 . . . . 0.0 108.882 167.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.79 ' HB2' ' HB2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -134.55 136.22 42.87 Favored 'General case' 0 C--N 1.31 -1.125 0 C-N-CA 119.368 -0.933 . . . . 0.0 112.925 -170.759 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.421 ' CE1' HD13 ' A' ' 27' ' ' LEU . 4.6 m-85 -135.23 146.81 48.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.59 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.77 -11.99 49.42 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.342 0.591 . . . . 0.0 109.93 178.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.7 mtm-85 -124.55 136.29 53.86 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.71 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -29.61 70.7 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-N 114.404 -1.271 . . . . 0.0 109.785 176.009 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -40.24 94.84 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.891 175.595 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.49 -31.2 68.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.691 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.601 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.64 -60.78 2.95 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 173.543 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.471 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -56.05 -41.34 74.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.725 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.9 mt -54.93 -44.31 74.15 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.962 0.41 . . . . 0.0 111.039 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.473 ' HB2' HH21 ' A' ' 19' ' ' ARG . 14.0 t60 -74.49 -38.13 62.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.325 0.583 . . . . 0.0 110.121 177.464 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.601 ' HG3' HD12 ' A' ' 27' ' ' LEU . 20.5 mtp-105 -74.24 -3.96 33.12 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.419 -173.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.471 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -65.61 -27.47 68.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.118 0.485 . . . . 0.0 109.726 175.461 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.444 ' HD3' HD12 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -74.27 -18.65 60.69 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.644 175.661 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.555 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 92.5 m-70 -87.29 -6.34 58.57 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.025 176.345 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.7 mmt -87.93 -10.33 50.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.104 178.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.444 HD12 ' HD3' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -121.8 54.3 1.16 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 175.501 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.9 p . . . . . 0 C--O 1.249 1.045 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.248 -175.796 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 mttt . . . . . 0 N--CA 1.471 0.59 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -66.04 -20.53 57.08 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.256 1.971 . . . . 0.0 111.883 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -123.16 81.21 1.85 Allowed 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.754 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.507 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -103.16 159.54 15.45 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.135 179.244 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.474 ' SG ' ' HB2' ' A' ' 16' ' ' ASP . 44.1 t -74.89 121.2 84.74 Favored Pre-proline 0 C--N 1.327 -0.407 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.262 177.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.43 3.73 5.58 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.725 2.283 . . . . 0.0 112.153 176.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.474 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 0.4 OUTLIER -108.9 -29.39 8.64 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.748 -179.565 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.433 ' HB2' ' HG2' ' A' ' 19' ' ' ARG . 83.6 m -117.06 -32.69 4.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.35 -176.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.3 t0 79.93 49.6 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.392 -0.822 . . . . 0.0 108.976 -166.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.507 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 6.6 mmm180 -83.78 -154.83 0.16 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.352 177.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.11 122.59 2.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.164 0.507 . . . . 0.0 111.46 175.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -133.77 136.27 44.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.253 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -18.04 52.09 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.362 0.601 . . . . 0.0 109.743 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -118.84 129.13 55.05 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.773 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -29.57 67.0 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.38 -1.282 . . . . 0.0 111.1 177.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.94 -47.48 80.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.805 178.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -64.65 -31.62 72.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.774 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.472 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.38 -60.41 3.45 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.755 173.64 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.581 ' O ' ' HD2' ' A' ' 32' ' ' LYS . . . -56.12 -36.23 67.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.612 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.45 ' O ' ' HB2' ' A' ' 32' ' ' LYS . 68.1 mt -61.42 -42.88 99.44 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.168 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.487 ' HB2' HH21 ' A' ' 19' ' ' ARG . 10.7 t60 -72.41 -36.33 68.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.307 0.575 . . . . 0.0 109.891 176.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.472 ' HG3' HD12 ' A' ' 27' ' ' LEU . 18.2 mtp-105 -74.67 -2.24 25.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.305 -175.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.581 ' HD2' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -63.46 -26.11 68.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.923 174.336 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -80.78 -7.89 59.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.832 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.465 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 73.4 m-70 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 -178.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.584 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 1.5 mttt . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.28 -20.28 21.41 Favored 'Trans proline' 0 CA--C 1.529 0.266 0 C-N-CA 122.236 1.957 . . . . 0.0 112.403 -176.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -126.5 82.64 2.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.474 -178.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.699 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 1.8 pt20 -113.04 162.63 15.68 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 121.141 -0.224 . . . . 0.0 110.606 -177.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.0 t -75.31 123.08 88.52 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.491 176.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -78.82 -1.63 11.76 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.724 2.283 . . . . 0.0 112.533 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -104.24 -42.57 5.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.208 0.528 . . . . 0.0 110.769 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.439 ' HB2' ' HG2' ' A' ' 19' ' ' ARG . 61.8 m -96.42 -32.17 12.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.14 -176.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.62 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 0.7 OUTLIER 81.1 43.58 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.981 0.801 . . . . 0.0 109.637 -171.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.699 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 3.7 mtm180 -81.01 -158.38 0.2 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.761 -1.108 . . . . 0.0 108.662 173.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.584 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -170.09 125.67 0.79 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.962 0.41 . . . . 0.0 111.612 176.761 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -133.4 152.94 51.96 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.26 -17.79 23.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.145 0.497 . . . . 0.0 110.184 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.8 mtp85 -114.44 129.77 56.67 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.47 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -29.04 70.4 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.562 -1.199 . . . . 0.0 110.444 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -43.45 95.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.103 174.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.731 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -62.84 -35.27 79.39 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.913 179.431 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.493 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -56.1 -60.31 3.66 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.145 0.498 . . . . 0.0 109.962 174.491 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.54 -37.21 67.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.851 -176.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.731 HD12 ' HA ' ' A' ' 26' ' ' HIS . 41.1 mt -54.45 -45.67 73.15 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.857 0.36 . . . . 0.0 110.881 178.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.536 ' HB2' HH21 ' A' ' 19' ' ' ARG . 19.0 t60 -72.6 -39.75 67.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.533 177.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.493 ' HG3' HD12 ' A' ' 27' ' ' LEU . 19.7 mtp-105 -74.24 -0.93 18.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.773 -173.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.4 ' HD2' ' HA ' ' A' ' 32' ' ' LYS . 2.6 mmtt -66.79 -26.77 67.11 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.34 -14.22 60.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.525 176.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.458 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 86.6 m-70 . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.741 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.531 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.537 0 CA-C-O 121.67 0.747 . . . . 0.0 112.48 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -60.55 -23.62 75.96 Favored 'Trans proline' 0 CA--C 1.529 0.266 0 C-N-CA 122.193 1.928 . . . . 0.0 112.348 -178.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -131.08 93.52 3.4 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.534 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.664 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -100.0 162.68 12.83 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 177.741 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.651 ' HB3' ' H ' ' A' ' 19' ' ' ARG . 45.2 t -76.02 128.63 82.71 Favored Pre-proline 0 N--CA 1.449 -0.509 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.012 173.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -78.77 -3.63 13.41 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 121.953 1.769 . . . . 0.0 112.009 174.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.431 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 1.6 m-20 -109.61 -40.07 4.96 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.904 0.383 . . . . 0.0 111.161 -176.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.437 ' HB2' ' HG3' ' A' ' 19' ' ' ARG . 80.4 m -94.28 -32.85 13.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.039 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 77.89 39.18 0.17 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.412 -1.267 . . . . 0.0 108.384 -165.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.682 HH21 ' CD2' ' A' ' 30' ' ' HIS . 1.3 mtm-85 -78.49 -160.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.485 -1.234 . . . . 0.0 109.774 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.531 ' HB2' ' HB2' ' A' ' 10' ' ' LYS . 1.5 p -165.32 122.38 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.133 0.492 . . . . 0.0 111.615 178.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.439 ' CZ ' ' HD2' ' A' ' 19' ' ' ARG . 52.8 m-85 -134.41 140.58 46.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.308 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.37 -25.21 46.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.342 0.591 . . . . 0.0 109.645 178.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -115.6 132.9 56.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.303 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.63 -26.77 68.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.973 176.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.463 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -61.2 -41.72 97.32 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.74 177.832 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.602 ' HA ' HD12 ' A' ' 29' ' ' LEU . 1.2 m170 -70.4 -35.08 73.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.33 177.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.496 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.93 -60.57 3.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.078 175.135 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.45 -38.65 69.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.992 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' A' ' 26' ' ' HIS . 69.4 mt -57.69 -49.84 75.17 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 120.839 0.352 . . . . 0.0 111.102 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.682 ' CD2' HH21 ' A' ' 19' ' ' ARG . 0.0 OUTLIER -70.41 -30.26 67.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.44 178.177 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.496 ' HG3' HD12 ' A' ' 27' ' ' LEU . 12.4 mtp-105 -74.98 0.75 14.78 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 121.079 -0.249 . . . . 0.0 111.466 -177.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -68.27 -25.91 65.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.439 0.637 . . . . 0.0 109.354 170.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -77.45 -5.39 49.71 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.415 176.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.458 ' CD2' ' HA ' ' A' ' 31' ' ' ARG . 70.2 m-70 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 121.243 0.544 . . . . 0.0 109.56 176.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.958 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.402 0 CA-C-O 121.488 0.661 . . . . 0.0 112.3 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -65.4 -20.54 61.38 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.359 2.039 . . . . 0.0 111.746 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -128.61 83.82 2.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.276 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.581 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -108.74 161.06 15.46 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 179.646 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.533 ' HA ' HD11 ' A' ' 27' ' ' LEU . 38.0 t -73.15 123.69 89.81 Favored Pre-proline 0 C--N 1.329 -0.285 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.399 178.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.51 3.32 6.92 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.379 2.053 . . . . 0.0 112.341 177.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.515 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 0.5 OUTLIER -109.07 -42.67 4.36 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 120.981 0.42 . . . . 0.0 110.412 -178.761 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.554 ' HB2' ' HG2' ' A' ' 19' ' ' ARG . 38.3 m -102.15 -32.11 10.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.619 -179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.0 t0 77.62 52.21 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.725 0.774 . . . . 0.0 109.963 -172.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.581 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 0.3 OUTLIER -85.96 -146.52 0.11 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.201 175.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.958 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -166.71 123.19 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.784 0.326 . . . . 0.0 111.273 176.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -133.61 138.02 45.75 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.83 -24.64 58.64 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.173 0.511 . . . . 0.0 109.951 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 57.1 mtp85 -112.92 136.47 52.54 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.16 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -26.65 68.22 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.47 -1.241 . . . . 0.0 109.827 176.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.691 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -65.39 -40.59 93.65 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.57 175.062 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -67.12 -35.07 78.96 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.439 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.533 HD11 ' HA ' ' A' ' 14' ' ' CYS . 0.3 OUTLIER -54.87 -63.63 1.09 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.139 174.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.535 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -55.95 -36.95 68.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.74 -177.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' A' ' 25' ' ' ASP . 74.0 mt -58.56 -46.48 86.79 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.734 0.302 . . . . 0.0 110.96 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -71.41 -35.93 71.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.091 0.472 . . . . 0.0 110.102 177.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.629 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 16.4 mtp180 -74.18 3.38 7.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.618 -175.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.535 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 1.4 mptp? -61.15 -32.64 72.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.006 0.431 . . . . 0.0 110.577 176.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -78.38 -5.08 51.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.816 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.629 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 86.6 m-70 . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.283 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.942 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 3.0 mttt . . . . . 0 CA--C 1.536 0.404 0 CA-C-O 121.238 0.542 . . . . 0.0 111.82 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -61.5 -20.65 69.4 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.823 2.348 . . . . 0.0 113.009 -175.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -130.57 89.24 2.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.094 0.473 . . . . 0.0 111.101 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -101.33 152.41 20.74 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.864 177.443 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.464 ' HA ' HD11 ' A' ' 27' ' ' LEU . 38.0 t -68.36 128.36 93.12 Favored Pre-proline 0 C--N 1.33 -0.242 0 C-N-CA 120.615 -0.434 . . . . 0.0 109.861 178.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -78.32 2.07 8.39 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.302 2.001 . . . . 0.0 112.47 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -113.06 -41.76 3.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.122 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 18' ' ' ASP . 35.4 m -101.03 -32.46 10.6 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.814 -177.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 17' ' ' CYS . 0.3 OUTLIER 77.94 48.38 0.05 OUTLIER 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.663 -172.346 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.606 HH21 ' HB2' ' A' ' 30' ' ' HIS . 5.2 mtm180 -78.17 -155.62 0.08 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.039 175.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.942 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -161.77 120.82 2.4 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.151 -0.62 . . . . 0.0 112.164 177.406 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.426 ' O ' ' HB3' ' A' ' 10' ' ' LYS . 10.2 m-85 -136.23 150.23 48.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.604 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.11 -15.19 26.33 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.278 0.561 . . . . 0.0 110.092 178.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -115.44 135.59 53.96 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.378 177.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -30.38 71.27 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.686 175.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.449 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -61.8 -42.36 98.91 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.826 175.893 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.793 ' HA ' HD12 ' A' ' 29' ' ' LEU . 1.5 m170 -67.72 -38.09 83.1 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.496 179.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.464 HD11 ' HA ' ' A' ' 14' ' ' CYS . 0.4 OUTLIER -55.52 -59.5 4.73 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.636 173.764 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.504 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -55.38 -37.33 67.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.074 -0.966 . . . . 0.0 111.69 -178.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.793 HD12 ' HA ' ' A' ' 26' ' ' HIS . 54.5 mt -56.72 -46.73 81.11 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.01 0.433 . . . . 0.0 110.711 178.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.606 ' HB2' HH21 ' A' ' 19' ' ' ARG . 16.8 t60 -70.67 -37.81 73.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.342 177.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.456 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 16.0 mtp-105 -75.29 -2.64 29.13 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.445 -173.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.781 ' HE2' ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -65.23 -28.77 69.59 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.177 0.513 . . . . 0.0 109.757 174.748 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.8 mtp85 -77.49 -6.13 52.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.795 176.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.456 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 72.6 m-70 . . . . . 0 C--N 1.323 -0.565 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 176.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.677 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.1 OUTLIER . . . . . 0 CA--C 1.537 0.478 0 CA-C-O 121.395 0.617 . . . . 0.0 111.936 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -65.19 -30.23 55.16 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.658 2.239 . . . . 0.0 112.613 -175.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -118.67 91.13 3.48 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.954 -175.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -89.41 164.47 14.85 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.989 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.2 t -75.51 125.85 88.21 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.39 168.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -71.58 -10.6 26.98 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.18 1.92 . . . . 0.0 112.304 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -108.37 -32.48 7.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.833 0.349 . . . . 0.0 111.287 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 79.7 m -102.11 -31.62 10.52 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -176.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 74.67 23.71 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.201 -0.909 . . . . 0.0 108.915 -167.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.1 mtp85 -67.01 173.21 3.81 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 114.259 -1.337 . . . . 0.0 108.642 171.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.677 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -135.94 127.23 28.3 Favored 'General case' 0 C--N 1.313 -1.0 0 C-N-CA 119.211 -0.996 . . . . 0.0 112.957 -173.485 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.59 ' CE1' HD13 ' A' ' 27' ' ' LEU . 4.2 m-85 -131.83 139.88 48.97 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.126 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.74 -21.26 38.0 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.363 0.602 . . . . 0.0 109.889 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.1 mtp85 -121.7 134.4 54.96 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.686 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.09 -26.33 68.78 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.554 -1.203 . . . . 0.0 110.325 178.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -46.37 83.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.134 175.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.579 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -62.95 -34.29 77.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.173 177.59 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.59 HD13 ' CE1' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -55.89 -59.25 5.15 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.847 175.215 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.43 -39.18 69.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.475 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 26' ' ' HIS . 88.6 mt -56.66 -46.3 81.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.296 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -71.98 -36.3 69.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.169 0.509 . . . . 0.0 110.151 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.543 ' HG3' HD12 ' A' ' 27' ' ' LEU . 11.9 mtp-105 -72.4 -2.61 20.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.947 -173.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.76 -37.0 77.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.192 0.52 . . . . 0.0 110.349 175.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.432 ' HA ' ' HD2' ' A' ' 33' ' ' ARG . 6.3 mmm180 -75.24 -5.21 43.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.08 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.53 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 71.3 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.168 0.509 . . . . 0.0 110.127 176.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.911 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.466 0.346 0 CA-C-O 121.341 0.591 . . . . 0.0 112.087 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -64.39 -15.86 51.97 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 122.582 2.188 . . . . 0.0 113.044 -176.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -131.78 95.19 3.66 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.058 0.456 . . . . 0.0 110.633 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.485 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 1.3 pt20 -100.29 157.09 16.86 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.888 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.633 ' HB3' ' H ' ' A' ' 19' ' ' ARG . 37.2 t -72.26 127.96 89.56 Favored Pre-proline 0 N--CA 1.454 -0.242 0 C-N-CA 120.362 -0.535 . . . . 0.0 109.658 173.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -79.08 3.87 7.04 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.375 2.05 . . . . 0.0 112.312 178.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -113.13 -41.97 3.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.759 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.51 ' HB2' ' HG2' ' A' ' 19' ' ' ARG . 32.7 m -105.65 -32.59 8.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.731 -177.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 t0 78.56 48.65 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.472 -169.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.633 ' H ' ' HB3' ' A' ' 14' ' ' CYS . 4.3 mtm180 -80.78 -168.06 1.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.698 -1.137 . . . . 0.0 108.227 172.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.911 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -153.27 126.52 8.56 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 119.784 -0.766 . . . . 0.0 111.865 178.515 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.465 ' CE1' HD13 ' A' ' 27' ' ' LEU . 10.1 m-85 -134.1 142.68 47.61 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.839 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.4 -27.27 56.25 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.147 0.499 . . . . 0.0 110.113 177.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.4 mtp85 -109.52 137.24 47.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.9 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 t -65.2 -28.01 69.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.816 175.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.493 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -64.97 -39.81 94.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.905 178.25 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.453 ' HA ' HD12 ' A' ' 29' ' ' LEU . 2.0 m170 -69.77 -33.84 72.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.648 178.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.519 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.34 -58.29 8.34 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.6 174.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.454 ' O ' ' HD2' ' A' ' 32' ' ' LYS . . . -55.1 -39.39 69.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.764 -178.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 25' ' ' ASP . 96.2 mt -57.51 -49.03 77.65 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.796 0.332 . . . . 0.0 110.91 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -67.5 -36.68 81.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.36 0.6 . . . . 0.0 110.223 177.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.519 ' HG3' HD12 ' A' ' 27' ' ' LEU . 7.2 mtp-105 -73.5 2.22 8.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.841 -174.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.454 ' HD2' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -65.66 -29.09 69.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.26 0.552 . . . . 0.0 109.972 176.113 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.22 -3.64 46.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.596 177.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.478 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 72.5 m-70 . . . . . 0 C--N 1.327 -0.404 0 CA-C-O 121.26 0.552 . . . . 0.0 110.17 178.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.781 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.427 0 CA-C-O 121.298 0.57 . . . . 0.0 111.849 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.84 -25.59 79.81 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.661 2.241 . . . . 0.0 112.775 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -130.04 92.81 3.37 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 120.876 0.369 . . . . 0.0 110.983 -177.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.604 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -98.59 158.41 15.62 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.39 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.553 ' SG ' ' HB2' ' A' ' 16' ' ' ASP . 49.4 t -75.24 123.19 88.62 Favored Pre-proline 0 C--N 1.332 -0.178 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 175.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -74.04 -3.51 13.9 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 122.293 1.995 . . . . 0.0 112.104 176.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.553 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -103.92 -33.23 8.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.472 -178.422 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 86.1 m -113.78 -33.17 5.89 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -174.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 83.76 18.85 0.2 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.656 1.182 . . . . 0.0 110.055 -169.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.604 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 7.8 mtp85 -61.64 179.03 0.27 Allowed 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 115.003 -0.998 . . . . 0.0 110.057 171.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.781 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -145.84 130.42 17.89 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.802 -0.759 . . . . 0.0 112.548 -177.896 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -136.49 146.84 46.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.007 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.48 -14.74 39.59 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.305 0.574 . . . . 0.0 109.869 178.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.544 ' HB2' ' HB2' ' A' ' 26' ' ' HIS . 57.1 mtp85 -114.89 134.02 55.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.735 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -28.42 69.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.453 173.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.415 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -66.04 -49.16 68.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.575 177.011 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.544 ' HB2' ' HB2' ' A' ' 23' ' ' ARG . 0.4 OUTLIER -64.44 -33.72 76.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.632 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.446 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.86 -61.25 2.49 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.612 172.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.486 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -55.98 -41.95 75.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.246 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 25' ' ' ASP . 58.6 mt -54.31 -42.26 69.92 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.773 0.321 . . . . 0.0 111.1 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -72.58 -40.65 66.43 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.245 0.545 . . . . 0.0 109.948 175.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.446 ' HG3' HD12 ' A' ' 27' ' ' LEU . 36.2 mtp180 -74.73 1.63 11.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.617 -175.055 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.486 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -68.92 -25.56 64.64 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 172.866 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -75.92 -16.63 59.99 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.49 176.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.409 ' CD2' ' HA ' ' A' ' 31' ' ' ARG . 69.9 m-70 . . . . . 0 C--N 1.323 -0.581 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.5 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.18 0 CA-C-O 121.101 0.477 . . . . 0.0 111.345 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.15 -19.93 59.1 Favored 'Trans proline' 0 CA--C 1.528 0.193 0 C-N-CA 122.989 2.459 . . . . 0.0 112.623 -177.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.444 ' HB2' ' O ' ' A' ' 21' ' ' PHE . 37.6 m-85 -117.54 84.45 2.16 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.218 0.532 . . . . 0.0 111.193 -178.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.571 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -101.05 156.9 17.15 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 175.667 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.448 ' HA ' HD11 ' A' ' 27' ' ' LEU . 43.7 t -68.52 128.35 93.04 Favored Pre-proline 0 N--CA 1.451 -0.389 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 175.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -73.07 -5.56 17.41 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.505 2.137 . . . . 0.0 112.127 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.04 -32.68 7.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.789 0.328 . . . . 0.0 110.941 -178.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.7 m -110.6 -32.71 6.8 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -173.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 70.28 50.99 0.39 Allowed 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 123.63 1.681 . . . . 0.0 109.5 -171.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.571 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 2.3 mtp85 -85.4 -155.11 0.21 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 113.096 -1.866 . . . . 0.0 109.327 172.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.434 ' H ' ' HB3' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -153.6 123.91 7.04 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.167 -0.613 . . . . 0.0 112.415 179.07 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.472 ' CD1' HD13 ' A' ' 27' ' ' LEU . 13.7 m-85 -137.26 131.85 32.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.736 178.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.84 -22.88 58.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.111 0.482 . . . . 0.0 109.893 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.1 mtp85 -116.3 137.33 52.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.804 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.62 -25.49 67.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.968 174.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -39.27 87.43 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.58 176.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.799 ' HA ' HD12 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -73.19 -32.36 64.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.672 178.136 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.472 HD13 ' CD1' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -55.14 -57.7 10.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.798 173.539 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.521 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -55.11 -37.81 67.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.779 -178.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.799 HD12 ' HA ' ' A' ' 26' ' ' HIS . 23.2 mt -57.46 -41.47 80.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.671 0.272 . . . . 0.0 111.169 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -75.48 -39.79 58.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.13 0.49 . . . . 0.0 110.234 175.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.519 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 16.8 mtp-105 -71.01 -1.15 11.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.922 -173.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.521 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 0.7 OUTLIER -62.15 -30.85 71.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.127 0.489 . . . . 0.0 110.055 174.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -18.21 62.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.16 177.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.519 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 95.1 m-70 . . . . . 0 C--N 1.323 -0.586 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.811 177.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.581 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.47 0.553 0 CA-C-O 121.253 0.549 . . . . 0.0 111.961 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -74.31 -12.68 23.1 Favored 'Trans proline' 0 CA--C 1.529 0.235 0 C-N-CA 122.668 2.245 . . . . 0.0 112.716 -177.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -124.53 90.17 3.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.868 0.366 . . . . 0.0 110.38 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.728 ' HG2' ' HA ' ' A' ' 20' ' ' SER . 0.3 OUTLIER -111.04 161.91 15.41 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 120.889 0.375 . . . . 0.0 111.257 -178.869 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.472 ' HB3' ' H ' ' A' ' 19' ' ' ARG . 44.3 t -75.13 122.01 86.49 Favored Pre-proline 0 N--CA 1.446 -0.644 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.312 173.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.33 -2.89 12.38 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.436 2.091 . . . . 0.0 112.088 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -110.85 -32.27 6.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.908 -177.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.608 ' HB2' ' HG3' ' A' ' 19' ' ' ARG . 59.3 m -112.06 -32.24 6.63 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -175.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.436 ' HB2' ' O ' ' A' ' 17' ' ' CYS . 0.2 OUTLIER 81.32 34.03 0.11 Allowed 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.862 0.839 . . . . 0.0 108.749 -166.611 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.639 HH21 ' HB2' ' A' ' 30' ' ' HIS . 3.7 mtm180 -83.21 142.6 31.05 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 114.512 -1.222 . . . . 0.0 107.902 171.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.728 ' HA ' ' HG2' ' A' ' 13' ' ' GLN . 0.3 OUTLIER -117.71 138.43 52.02 Favored 'General case' 0 C--N 1.311 -1.084 0 C-N-CA 119.9 -0.72 . . . . 0.0 112.941 -172.278 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.455 ' CE1' HD13 ' A' ' 27' ' ' LEU . 8.3 m-85 -137.55 141.05 41.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.421 -178.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.26 -21.31 29.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.338 0.59 . . . . 0.0 109.926 177.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.7 mtm-85 -111.12 131.25 55.24 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.455 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -25.73 67.53 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.457 -1.247 . . . . 0.0 111.079 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -72.82 -38.02 67.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.531 177.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.548 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -61.91 -31.41 71.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.739 179.102 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.455 HD13 ' CE1' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -55.4 -62.93 1.35 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.056 174.625 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.461 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -55.45 -38.65 69.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.256 -0.883 . . . . 0.0 111.702 -178.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 26' ' ' HIS . 84.9 mt -55.36 -45.49 76.49 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.915 0.388 . . . . 0.0 111.239 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.639 ' HB2' HH21 ' A' ' 19' ' ' ARG . 13.1 t60 -72.95 -38.96 66.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.289 0.566 . . . . 0.0 110.271 177.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.621 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 21.6 mtp-105 -73.12 7.05 2.33 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.519 -173.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.541 ' HE2' ' HA ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -68.84 -26.31 65.09 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 174.233 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.534 ' HA ' ' HD2' ' A' ' 33' ' ' ARG . 3.1 mmm-85 -82.19 6.32 16.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.335 175.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.621 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 88.8 m-70 . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.883 178.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.684 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.386 0 CA-C-O 121.145 0.498 . . . . 0.0 111.36 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -62.57 -18.41 63.47 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.812 2.341 . . . . 0.0 112.387 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -122.82 78.87 1.58 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.095 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -94.6 156.37 16.46 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 175.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.586 ' HA ' HD11 ' A' ' 27' ' ' LEU . 43.9 t -67.2 125.81 91.57 Favored Pre-proline 0 C--N 1.327 -0.399 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.583 177.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -71.95 -3.27 12.9 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.295 1.997 . . . . 0.0 112.336 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -112.72 -33.04 6.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.743 0.306 . . . . 0.0 111.411 -179.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 18' ' ' ASP . 61.1 m -107.94 -31.93 7.78 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -177.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 17' ' ' CYS . 1.0 OUTLIER 75.47 49.12 0.08 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.946 -173.031 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.423 ' HB3' ' H ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -84.59 -148.02 0.1 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.043 177.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.684 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -157.46 122.29 4.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.094 0.473 . . . . 0.0 111.59 177.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.41 ' CD1' HD13 ' A' ' 27' ' ' LEU . 12.5 m-85 -137.8 134.59 35.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.097 178.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.38 -20.84 33.48 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.301 0.572 . . . . 0.0 109.759 -179.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.89 135.26 50.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.236 177.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -28.35 69.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.336 0.589 . . . . 0.0 109.629 173.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.5 -47.43 81.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.36 175.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.621 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -59.71 -38.37 81.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.754 178.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.586 HD11 ' HA ' ' A' ' 14' ' ' CYS . 0.3 OUTLIER -55.29 -60.38 3.47 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.984 174.817 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.35 -37.15 67.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.996 -177.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 26' ' ' HIS . 78.5 mt -58.59 -44.84 89.98 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.944 0.402 . . . . 0.0 111.259 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -71.57 -36.41 70.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.27 0.557 . . . . 0.0 110.018 178.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.505 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 15.0 mtp-105 -74.99 2.33 10.74 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.763 -174.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -39.17 81.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.782 179.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 33' ' ' ARG . 1.4 ttp-105 -84.1 6.83 20.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.621 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.505 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 31.4 m-70 . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 121.1 0.476 . . . . 0.0 110.343 177.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.497 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.3 0 CA-C-O 121.144 0.497 . . . . 0.0 111.586 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.69 -10.43 22.22 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -128.95 90.6 3.06 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.029 0.442 . . . . 0.0 110.435 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.67 153.23 23.72 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.101 179.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.402 ' HA ' HD11 ' A' ' 27' ' ' LEU . 40.1 t -68.02 128.41 93.3 Favored Pre-proline 0 N--CA 1.453 -0.279 0 C-N-CA 120.554 -0.458 . . . . 0.0 109.94 178.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -76.07 -5.15 16.0 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.403 2.069 . . . . 0.0 112.442 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -108.24 -40.4 5.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.846 0.355 . . . . 0.0 110.87 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.446 ' HB2' ' CG ' ' A' ' 19' ' ' ARG . 18.0 m -106.33 -32.89 7.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.241 -176.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 84.23 24.43 0.11 Allowed 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.956 1.41 . . . . 0.0 110.879 -175.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.446 ' CG ' ' HB2' ' A' ' 17' ' ' CYS . 5.5 mtm180 -64.17 171.24 3.11 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 114.926 -1.033 . . . . 0.0 110.037 170.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.497 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -128.64 139.01 52.47 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -178.126 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.546 ' CD1' HD13 ' A' ' 27' ' ' LEU . 43.7 m-85 -142.72 131.8 23.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.124 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.51 -34.1 71.94 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.165 0.507 . . . . 0.0 110.099 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 23' ' ' ARG . 5.5 mtm-85 -106.9 140.24 40.03 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.381 178.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.17 -26.44 68.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.574 0.702 . . . . 0.0 109.279 174.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.508 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -65.17 -39.72 93.31 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.643 176.013 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.573 ' HA ' HD12 ' A' ' 29' ' ' LEU . 1.9 m170 -68.74 -36.43 78.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.434 177.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.551 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.77 -59.35 4.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.083 175.417 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.577 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -55.42 -37.25 67.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.834 -177.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.573 HD12 ' HA ' ' A' ' 26' ' ' HIS . 95.0 mt -55.13 -45.13 75.56 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.95 0.405 . . . . 0.0 110.739 178.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.419 ' HB2' HH21 ' A' ' 19' ' ' ARG . 14.3 t60 -75.62 -35.84 60.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.256 0.55 . . . . 0.0 110.269 177.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.551 ' HG3' HD12 ' A' ' 27' ' ' LEU . 12.8 mtp-105 -75.71 0.83 16.41 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.232 -173.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.577 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 3.3 mptt -61.42 -31.39 71.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.426 178.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -85.5 6.08 28.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.964 178.267 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.457 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 67.1 m-70 . . . . . 0 C--N 1.327 -0.387 0 CA-C-O 121.074 0.464 . . . . 0.0 110.219 177.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.564 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.373 0 CA-C-O 121.083 0.468 . . . . 0.0 111.272 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -58.56 -21.26 53.89 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.905 2.403 . . . . 0.0 113.178 -175.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -127.26 91.08 3.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.008 0.433 . . . . 0.0 111.13 -178.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.67 154.29 18.72 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.103 178.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.42 ' HA ' HD11 ' A' ' 27' ' ' LEU . 41.3 t -70.11 132.26 88.36 Favored Pre-proline 0 C--N 1.329 -0.32 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.012 177.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.01 -6.11 16.41 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.61 2.207 . . . . 0.0 112.897 178.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -112.16 -33.21 6.3 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.843 0.354 . . . . 0.0 111.219 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.413 ' HB2' ' HG2' ' A' ' 19' ' ' ARG . 32.5 m -107.11 -32.25 7.91 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -177.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.7 t70 79.07 40.66 0.1 Allowed 'General case' 0 N--CA 1.469 0.485 0 O-C-N 123.896 0.748 . . . . 0.0 110.233 -175.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.542 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . 3.8 mtm180 -76.71 -158.75 0.11 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.284 178.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.564 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -150.7 120.61 7.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.345 0.593 . . . . 0.0 112.227 178.776 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 14.9 m-85 -133.96 141.79 47.43 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.694 178.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.03 -21.14 27.91 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.484 0.659 . . . . 0.0 109.512 178.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.5 mtp85 -117.08 135.01 54.05 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.518 178.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -27.82 69.06 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 114.757 -1.11 . . . . 0.0 109.783 175.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.592 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -62.51 -42.65 99.65 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.29 175.051 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.533 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -69.31 -35.25 75.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.735 177.775 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.493 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -55.76 -58.81 6.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.56 173.73 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.405 ' O ' ' HD2' ' A' ' 32' ' ' LYS . . . -55.6 -36.31 66.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.736 -179.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 25' ' ' ASP . 95.7 mt -58.68 -42.13 87.79 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.924 0.393 . . . . 0.0 110.73 178.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.418 ' HB2' HH21 ' A' ' 19' ' ' ARG . 12.4 t60 -74.97 -35.54 62.07 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.246 0.546 . . . . 0.0 110.212 176.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.553 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 22.2 mtp-105 -78.37 3.27 16.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.262 -172.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.405 ' HD2' ' O ' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -57.58 -41.76 81.76 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.126 0.489 . . . . 0.0 110.824 178.034 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -71.96 -14.45 61.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.194 -179.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.553 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 70.5 m-70 . . . . . 0 C--N 1.321 -0.646 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.295 178.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.629 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 121.924 0.868 . . . . 0.0 112.754 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 31.2 Cg_exo -61.16 -32.56 91.11 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 123.758 2.972 . . . . 0.0 112.268 -178.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -117.53 83.77 2.05 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.606 0.717 . . . . 0.0 110.808 -177.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.752 ' HG2' ' O ' ' A' ' 19' ' ' ARG . 0.7 OUTLIER -83.65 152.74 24.62 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.4 179.542 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.476 ' SG ' ' HB2' ' A' ' 16' ' ' ASP . 37.7 t -77.19 117.45 65.3 Favored Pre-proline 0 N--CA 1.451 -0.4 0 C-N-CA 119.37 -0.932 . . . . 0.0 109.217 165.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -72.98 -2.19 11.62 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.234 1.956 . . . . 0.0 111.508 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.476 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 1.7 m-20 -105.45 -18.1 14.22 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.925 -176.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.3 m -127.49 -33.03 2.37 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -170.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.73 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 1.8 t70 81.87 15.74 0.48 Allowed 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 -164.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.752 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 5.7 mtp85 -71.49 166.97 20.65 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 114.587 -1.188 . . . . 0.0 108.309 168.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.629 ' HB2' ' HB2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -144.75 135.12 24.32 Favored 'General case' 0 C--N 1.314 -0.939 0 C-N-CA 119.905 -0.718 . . . . 0.0 112.261 -174.197 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.409 ' CD1' HD13 ' A' ' 27' ' ' LEU . 28.6 m-85 -134.97 146.01 48.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.447 -179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.09 -18.19 31.08 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.415 0.626 . . . . 0.0 109.413 178.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -118.23 137.5 52.98 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.754 178.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.41 -26.42 67.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.985 174.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -47.9 80.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.744 178.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.12 -34.55 78.32 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.528 178.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.525 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.89 -62.17 1.88 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.147 174.521 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.451 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -56.05 -38.18 70.24 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.814 -178.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.434 ' O ' ' HB2' ' A' ' 32' ' ' LYS . 55.6 mt -56.98 -50.01 73.98 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 120.892 0.377 . . . . 0.0 110.705 178.208 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.414 ' CD2' ' HE ' ' A' ' 19' ' ' ARG . 7.1 t60 -67.08 -37.41 83.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.562 178.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.525 ' HG3' HD12 ' A' ' 27' ' ' LEU . 14.7 mtp-105 -73.14 -1.24 16.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.643 -174.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -63.06 -28.19 69.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.104 0.478 . . . . 0.0 110.224 174.537 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -80.62 -6.27 58.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.909 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 . . . . . 0 C--N 1.326 -0.447 0 CA-C-O 121.158 0.504 . . . . 0.0 110.15 179.149 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.769 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 8.8 mttt . . . . . 0 N--CA 1.471 0.624 0 CA-C-O 121.37 0.605 . . . . 0.0 112.361 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -62.13 -15.02 41.33 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 123.033 2.489 . . . . 0.0 113.8 -175.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.476 ' HB2' ' O ' ' A' ' 21' ' ' PHE . 47.5 m-85 -124.87 89.83 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.971 0.415 . . . . 0.0 110.966 -178.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -95.57 166.78 11.68 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.101 177.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.6 t -75.79 128.6 83.22 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 114.955 -1.02 . . . . 0.0 109.022 167.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -76.37 -10.33 19.02 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 122.174 1.916 . . . . 0.0 112.49 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -104.8 -39.86 6.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.971 0.415 . . . . 0.0 110.96 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 18' ' ' ASP . 61.1 m -96.25 -31.94 12.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.936 -0.574 . . . . 0.0 112.297 -175.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 17' ' ' CYS . 0.5 OUTLIER 78.23 30.68 0.41 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.448 -171.353 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -72.55 -168.67 0.46 Allowed 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 114.759 -1.109 . . . . 0.0 109.363 174.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.769 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -150.27 124.03 9.21 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 119.49 -0.884 . . . . 0.0 112.774 -175.385 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.476 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 3.8 m-85 -134.8 132.89 39.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.224 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.41 -24.94 42.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.16 0.505 . . . . 0.0 110.358 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -115.1 132.84 56.47 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.837 176.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -21.04 66.25 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.846 -178.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.433 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 2.7 t70 -64.79 -47.41 78.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.753 173.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.629 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -58.94 -35.61 73.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.071 177.423 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.561 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.66 -61.52 2.3 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 175.16 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.533 ' O ' ' HD2' ' A' ' 32' ' ' LYS . . . -55.79 -41.01 73.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.534 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 26' ' ' HIS . 89.6 mt -52.74 -45.39 66.99 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.956 0.408 . . . . 0.0 111.153 179.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -75.01 -37.79 61.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.298 0.57 . . . . 0.0 109.883 177.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.565 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 8.2 mtp-105 -74.48 -4.02 34.22 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.152 -173.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.533 ' HD2' ' O ' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -63.81 -33.71 76.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.116 0.484 . . . . 0.0 109.769 178.03 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.47 -4.17 47.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.109 177.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.565 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 39.8 m-70 . . . . . 0 C--N 1.332 -0.181 0 CA-C-O 121.199 0.523 . . . . 0.0 110.189 176.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.887 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.472 0.644 0 CA-C-O 121.716 0.77 . . . . 0.0 112.82 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -63.26 -22.22 72.22 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.508 2.139 . . . . 0.0 112.451 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -132.78 91.91 2.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.711 -178.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.736 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -100.26 160.24 14.49 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.455 ' HB3' ' HB2' ' A' ' 19' ' ' ARG . 43.3 t -73.08 125.96 90.68 Favored Pre-proline 0 C--N 1.328 -0.335 0 C-N-CA 120.143 -0.623 . . . . 0.0 109.673 174.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -77.87 -4.24 14.28 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.541 2.16 . . . . 0.0 112.281 178.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -104.73 -36.42 7.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.951 0.405 . . . . 0.0 110.574 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 79.8 m -103.81 -31.98 9.55 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -175.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 t70 80.95 37.38 0.09 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.169 -166.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.736 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 0.5 OUTLIER -79.21 -159.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.424 175.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.887 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -165.44 126.04 1.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.765 178.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -134.62 148.37 50.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.956 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -27.81 41.49 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.941 0.401 . . . . 0.0 110.731 -179.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -120.44 135.2 55.12 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-O 121.634 0.73 . . . . 0.0 110.84 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -25.53 68.21 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 114.26 -1.336 . . . . 0.0 110.678 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.525 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -64.13 -41.63 97.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.178 175.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.484 ' HA ' HD12 ' A' ' 29' ' ' LEU . 1.9 m170 -68.11 -34.11 75.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.778 178.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.452 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.55 -59.5 4.75 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.925 173.705 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.457 ' O ' ' HD2' ' A' ' 32' ' ' LYS . . . -55.1 -37.77 67.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.162 -0.927 . . . . 0.0 111.602 -178.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 25' ' ' ASP . 95.7 mt -58.7 -44.44 90.31 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.882 0.373 . . . . 0.0 110.898 179.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -72.54 -37.13 68.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.235 0.54 . . . . 0.0 110.16 177.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.452 ' HG3' HD12 ' A' ' 27' ' ' LEU . 24.0 mtp-105 -71.35 -5.8 35.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.53 -175.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.457 ' HD2' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -62.16 -31.2 71.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.317 0.579 . . . . 0.0 109.908 175.038 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -15.9 61.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.129 178.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 . . . . . 0 C--N 1.323 -0.559 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.041 -178.912 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.521 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.464 0 CA-C-O 121.536 0.684 . . . . 0.0 112.308 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -67.19 -16.19 48.09 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.61 2.207 . . . . 0.0 112.977 -177.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -128.51 93.2 3.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.968 0.414 . . . . 0.0 110.768 -178.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.646 ' HG2' ' HA ' ' A' ' 20' ' ' SER . 1.1 mt-30 -105.72 160.7 15.01 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.186 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.3 t -72.25 122.88 88.58 Favored Pre-proline 0 N--CA 1.449 -0.519 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 172.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -73.1 -0.78 9.57 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.417 2.078 . . . . 0.0 112.478 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -115.61 -41.05 3.29 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.615 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.0 m -94.58 -33.17 13.13 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -173.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 76.6 24.05 1.04 Allowed 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.622 0.725 . . . . 0.0 109.248 -165.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.523 HH21 ' HB2' ' A' ' 30' ' ' HIS . 5.1 mtp85 -71.35 157.18 38.53 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 114.292 -1.322 . . . . 0.0 108.139 164.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.646 ' HA ' ' HG2' ' A' ' 13' ' ' GLN . 0.5 OUTLIER -129.67 142.95 50.63 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -175.416 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.537 ' CD1' HD13 ' A' ' 27' ' ' LEU . 47.4 m-85 -141.14 143.2 34.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.154 -178.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.17 -20.35 30.37 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.229 0.538 . . . . 0.0 110.395 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.423 HH21 ' CG ' ' A' ' 25' ' ' ASP . 0.8 OUTLIER -124.49 131.49 53.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.859 177.712 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -22.62 65.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.187 0.518 . . . . 0.0 110.644 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.501 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -62.92 -46.37 88.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.274 175.737 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.625 ' HA ' HD12 ' A' ' 29' ' ' LEU . 1.6 m170 -65.37 -35.78 82.0 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.51 176.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.554 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -55.46 -60.63 3.15 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.964 174.873 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.562 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -56.07 -38.16 70.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.694 -178.037 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 26' ' ' HIS . 95.8 mt -55.74 -41.7 74.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.22 0.533 . . . . 0.0 110.622 178.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.523 ' HB2' HH21 ' A' ' 19' ' ' ARG . 18.4 t60 -75.18 -41.29 58.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.591 176.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.593 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 37.5 mtp180 -74.42 -8.88 57.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.677 -172.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.562 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 2.3 mptt -61.8 -30.83 71.08 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.255 0.55 . . . . 0.0 109.646 176.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -72.34 -17.18 61.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.2 177.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.593 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 72.0 m-70 . . . . . 0 C--N 1.324 -0.52 0 CA-C-O 121.062 0.458 . . . . 0.0 110.613 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.1 mttt . . . . . 0 N--CA 1.467 0.381 0 CA-C-O 121.074 0.464 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -61.71 -16.71 50.37 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.742 2.295 . . . . 0.0 112.692 -176.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.435 ' O ' ' HD1' ' A' ' 21' ' ' PHE . 52.9 m-85 -120.19 77.58 1.27 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.069 0.461 . . . . 0.0 111.13 -178.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.438 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -100.33 156.11 17.42 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 176.325 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.542 ' HA ' HD11 ' A' ' 27' ' ' LEU . 44.8 t -69.16 127.55 92.95 Favored Pre-proline 0 C--N 1.327 -0.382 0 C-N-CA 120.547 -0.461 . . . . 0.0 109.864 178.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -73.84 -2.46 12.27 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.328 2.019 . . . . 0.0 112.54 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -113.99 -37.55 4.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.891 0.376 . . . . 0.0 111.206 -179.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 39.1 m -102.6 -31.85 10.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.66 -178.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 t0 72.42 52.79 0.17 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.033 -173.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.438 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 0.2 OUTLIER -85.14 -154.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.439 176.04 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.12 124.42 7.58 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.254 -0.578 . . . . 0.0 112.098 177.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.435 ' HD1' ' O ' ' A' ' 12' ' ' PHE . 3.8 m-85 -138.61 135.51 35.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.009 177.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.09 -12.35 50.32 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.4 0.619 . . . . 0.0 109.823 178.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.627 ' HB2' ' HB2' ' A' ' 26' ' ' HIS . 7.0 mtm-85 -110.83 131.52 54.98 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.062 -179.15 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -26.33 68.56 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.254 -1.339 . . . . 0.0 111.196 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -81.34 -32.74 32.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.511 178.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.627 ' HB2' ' HB2' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -62.84 -36.54 83.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.638 178.702 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.542 HD11 ' HA ' ' A' ' 14' ' ' CYS . 0.4 OUTLIER -55.63 -60.82 2.9 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.257 0.551 . . . . 0.0 109.817 174.33 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.479 ' O ' ' HD2' ' A' ' 32' ' ' LYS . . . -55.12 -37.25 66.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.876 -1.056 . . . . 0.0 111.812 -178.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 26' ' ' HIS . 60.0 mt -54.74 -49.8 69.93 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 123.124 0.265 . . . . 0.0 111.225 178.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -70.64 -36.6 73.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.264 0.554 . . . . 0.0 110.189 177.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.472 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 15.7 mtp-105 -74.71 -4.4 37.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.571 -174.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.479 ' HD2' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -62.95 -27.82 69.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.901 0.382 . . . . 0.0 110.023 176.721 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -78.88 -11.71 60.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.791 177.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.472 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 87.7 m-70 . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.906 176.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 21' ' ' PHE . 1.2 mttm . . . . . 0 N--CA 1.466 0.348 0 CA-C-O 121.176 0.512 . . . . 0.0 111.898 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -63.66 -17.63 60.74 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 122.582 2.188 . . . . 0.0 113.263 -175.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -126.1 92.55 3.6 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.66 0.267 . . . . 0.0 110.851 -177.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -95.6 169.4 10.06 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 121.034 -0.266 . . . . 0.0 110.88 177.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.575 ' HB3' ' H ' ' A' ' 19' ' ' ARG . 52.0 t -76.87 123.96 87.5 Favored Pre-proline 0 C--N 1.318 -0.783 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.762 166.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.64 5.03 5.51 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.405 2.07 . . . . 0.0 112.036 176.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.2 -40.95 3.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.132 0.491 . . . . 0.0 110.845 -178.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 18' ' ' ASP . 59.0 m -104.23 -31.35 9.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.346 -175.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER 78.63 43.25 0.08 Allowed 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -166.759 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.575 ' H ' ' HB3' ' A' ' 14' ' ' CYS . 7.2 mtm180 -80.7 -174.41 4.71 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 171.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.416 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -147.1 129.28 15.62 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 119.701 -0.8 . . . . 0.0 112.222 178.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.468 ' CD1' HD13 ' A' ' 27' ' ' LEU . 28.6 m-85 -133.95 139.12 45.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.375 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.11 -25.65 31.77 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.465 0.65 . . . . 0.0 109.717 177.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.1 mtp85 -111.83 132.15 54.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.563 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.28 -26.81 68.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.253 177.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -68.41 -40.84 81.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.158 177.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.744 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -65.13 -34.68 78.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.718 177.415 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.61 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.27 -62.23 1.81 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.807 175.155 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.6 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -56.22 -35.7 67.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.793 -177.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.744 HD12 ' HA ' ' A' ' 26' ' ' HIS . 51.5 mt -56.19 -45.16 79.91 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.891 0.377 . . . . 0.0 110.963 178.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.568 ' HB2' HH21 ' A' ' 19' ' ' ARG . 20.5 t60 -75.8 -37.72 58.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.424 176.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.61 ' HG3' HD12 ' A' ' 27' ' ' LEU . 20.0 mtp-105 -72.73 -4.15 29.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.348 -175.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.6 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -65.23 -27.18 68.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.964 0.412 . . . . 0.0 110.018 177.349 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -77.07 -8.01 56.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.883 175.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 . . . . . 0 C--N 1.325 -0.47 0 CA-C-O 121.185 0.517 . . . . 0.0 109.926 178.307 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.79 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 3.7 mttt . . . . . 0 CA--C 1.543 0.705 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -68.42 -16.58 43.48 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 122.922 2.415 . . . . 0.0 113.208 -177.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -130.18 89.75 2.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.173 0.511 . . . . 0.0 111.036 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.699 ' HG2' ' O ' ' A' ' 19' ' ' ARG . 0.9 OUTLIER -89.63 153.13 20.98 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.086 -178.849 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.476 ' HA ' HD11 ' A' ' 27' ' ' LEU . 36.8 t -70.73 130.39 88.77 Favored Pre-proline 0 N--CA 1.453 -0.318 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 169.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -74.47 -5.02 16.31 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.471 2.114 . . . . 0.0 112.769 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -115.84 -31.77 5.67 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -177.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 86.4 m -104.02 -32.08 9.39 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -174.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 78.96 14.79 1.11 Allowed 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 -167.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.699 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 11.0 mtp85 -62.69 157.91 19.77 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 113.973 -1.467 . . . . 0.0 108.882 167.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.79 ' HB2' ' HB2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -134.55 136.22 42.87 Favored 'General case' 0 C--N 1.31 -1.125 0 C-N-CA 119.368 -0.933 . . . . 0.0 112.925 -170.759 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.421 ' CE1' HD13 ' A' ' 27' ' ' LEU . 4.6 m-85 -135.23 146.81 48.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.59 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.77 -11.99 49.42 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.342 0.591 . . . . 0.0 109.93 178.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.7 mtm-85 -124.55 136.29 53.86 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.71 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -29.61 70.7 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-N 114.404 -1.271 . . . . 0.0 109.785 176.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -40.24 94.84 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.891 175.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -70.49 -31.2 68.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.691 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.601 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.64 -60.78 2.95 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 173.543 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.471 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -56.05 -41.34 74.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.725 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.9 mt -54.93 -44.31 74.15 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.962 0.41 . . . . 0.0 111.039 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.473 ' HB2' HH21 ' A' ' 19' ' ' ARG . 14.0 t60 -74.49 -38.13 62.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.325 0.583 . . . . 0.0 110.121 177.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.601 ' HG3' HD12 ' A' ' 27' ' ' LEU . 20.5 mtp-105 -74.24 -3.96 33.12 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.419 -173.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.471 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -65.61 -27.47 68.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.118 0.485 . . . . 0.0 109.726 175.461 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.27 -18.65 60.69 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.644 175.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.555 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 92.5 m-70 . . . . . 0 C--N 1.322 -0.594 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.025 176.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.78 -0.528 . . . . 0.0 111.78 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m -155.76 107.07 2.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.117 0.485 . . . . 0.0 110.66 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.641 ' HB ' ' HA3' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -112.77 -40.96 3.89 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.923 0.868 . . . . 0.0 110.499 -179.19 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.424 ' HB2' ' O ' ' A' ' 7' ' ' THR . 15.2 mtm180 -151.09 54.02 0.87 Allowed 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 113.988 -1.46 . . . . 0.0 108.943 176.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 80.68 -74.76 2.34 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.277 -173.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.645 ' HB2' ' HA ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -149.1 10.95 0.8 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.979 0.419 . . . . 0.0 110.625 177.2 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.831 ' HA ' ' HG3' ' A' ' 13' ' ' GLN . 1.1 p -136.43 73.91 1.47 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.323 0.582 . . . . 0.0 111.855 -174.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.641 ' HA3' ' HB ' ' A' ' 3' ' ' THR . . . -97.55 -97.05 1.95 Allowed Glycine 0 N--CA 1.44 -1.095 0 C-N-CA 120.442 -0.885 . . . . 0.0 113.204 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.577 ' HB ' ' HB3' ' A' ' 20' ' ' SER . 2.6 mt -78.77 161.14 4.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -174.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 mttt 59.24 146.46 0.06 OUTLIER Pre-proline 0 N--CA 1.471 0.59 0 C-N-CA 123.778 0.831 . . . . 0.0 112.844 173.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -66.04 -20.53 57.08 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.256 1.971 . . . . 0.0 111.883 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -123.16 81.21 1.85 Allowed 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.754 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.831 ' HG3' ' HA ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -103.16 159.54 15.45 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.135 179.244 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.474 ' SG ' ' HB2' ' A' ' 16' ' ' ASP . 44.1 t -74.89 121.2 84.74 Favored Pre-proline 0 C--N 1.327 -0.407 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.262 177.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.645 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 73.3 Cg_endo -75.43 3.73 5.58 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.725 2.283 . . . . 0.0 112.153 176.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.474 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 0.4 OUTLIER -108.9 -29.39 8.64 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.748 -179.565 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.433 ' HB2' ' HG2' ' A' ' 19' ' ' ARG . 83.6 m -117.06 -32.69 4.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.35 -176.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.421 ' HB2' ' HA ' ' A' ' 6' ' ' SER . 9.3 t0 79.93 49.6 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.392 -0.822 . . . . 0.0 108.976 -166.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.507 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 6.6 mmm180 -83.78 -154.83 0.16 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.352 177.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.577 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 0.5 OUTLIER -163.11 122.59 2.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.164 0.507 . . . . 0.0 111.46 175.034 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -133.77 136.27 44.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.253 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -18.04 52.09 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.362 0.601 . . . . 0.0 109.743 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -118.84 129.13 55.05 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.773 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -29.57 67.0 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.38 -1.282 . . . . 0.0 111.1 177.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.94 -47.48 80.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.805 178.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -64.65 -31.62 72.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.774 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.472 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.38 -60.41 3.45 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.755 173.64 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.581 ' O ' ' HD2' ' A' ' 32' ' ' LYS . . . -56.12 -36.23 67.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.612 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.45 ' O ' ' HB2' ' A' ' 32' ' ' LYS . 68.1 mt -61.42 -42.88 99.44 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.168 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.487 ' HB2' HH21 ' A' ' 19' ' ' ARG . 10.7 t60 -72.41 -36.33 68.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.307 0.575 . . . . 0.0 109.891 176.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.472 ' HG3' HD12 ' A' ' 27' ' ' LEU . 18.2 mtp-105 -74.67 -2.24 25.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.305 -175.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.581 ' HD2' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -63.46 -26.11 68.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.923 174.336 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -80.78 -7.89 59.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.832 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.465 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 73.4 m-70 -98.97 5.87 46.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 -178.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.1 mtt -81.0 -70.75 0.51 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.36 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.74 53.36 1.6 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 176.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.249 1.046 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.944 -178.373 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.607 ' HA3' ' OG ' ' A' ' 6' ' ' SER . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 111.481 -0.648 . . . . 0.0 111.481 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.7 -33.79 0.41 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.514 0.157 . . . . 0.0 111.37 -177.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.09 90.17 1.52 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.659 0.266 . . . . 0.0 111.092 -178.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 56.83 -105.24 0.26 Allowed 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.681 -178.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -100.69 40.96 2.26 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.947 176.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.607 ' OG ' ' HA3' ' A' ' 1' ' ' GLY . 19.7 m 61.64 35.18 17.24 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.237 0.615 . . . . 0.0 111.58 -179.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.04 95.81 3.18 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.692 179.145 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -120.67 -92.43 1.28 Allowed Glycine 0 N--CA 1.441 -0.991 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.85 -177.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.7 mt -79.54 159.34 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -176.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.584 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 1.5 mttt 55.43 147.42 0.05 OUTLIER Pre-proline 0 N--CA 1.474 0.766 0 C-N-CA 123.857 0.863 . . . . 0.0 113.193 172.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.28 -20.28 21.41 Favored 'Trans proline' 0 CA--C 1.529 0.266 0 C-N-CA 122.236 1.957 . . . . 0.0 112.403 -176.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -126.5 82.64 2.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.474 -178.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.699 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 1.8 pt20 -113.04 162.63 15.68 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 121.141 -0.224 . . . . 0.0 110.606 -177.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.0 t -75.31 123.08 88.52 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.491 176.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -78.82 -1.63 11.76 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.724 2.283 . . . . 0.0 112.533 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -104.24 -42.57 5.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.208 0.528 . . . . 0.0 110.769 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.439 ' HB2' ' HG2' ' A' ' 19' ' ' ARG . 61.8 m -96.42 -32.17 12.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.14 -176.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.62 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 0.7 OUTLIER 81.1 43.58 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.981 0.801 . . . . 0.0 109.637 -171.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.699 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 3.7 mtm180 -81.01 -158.38 0.2 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.761 -1.108 . . . . 0.0 108.662 173.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.584 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -170.09 125.67 0.79 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.962 0.41 . . . . 0.0 111.612 176.761 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -133.4 152.94 51.96 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.26 -17.79 23.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.145 0.497 . . . . 0.0 110.184 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.8 mtp85 -114.44 129.77 56.67 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.47 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -29.04 70.4 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.562 -1.199 . . . . 0.0 110.444 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -43.45 95.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.103 174.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.731 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -62.84 -35.27 79.39 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.913 179.431 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.493 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -56.1 -60.31 3.66 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.145 0.498 . . . . 0.0 109.962 174.491 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.54 -37.21 67.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.851 -176.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.731 HD12 ' HA ' ' A' ' 26' ' ' HIS . 41.1 mt -54.45 -45.67 73.15 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.857 0.36 . . . . 0.0 110.881 178.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.536 ' HB2' HH21 ' A' ' 19' ' ' ARG . 19.0 t60 -72.6 -39.75 67.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.533 177.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.493 ' HG3' HD12 ' A' ' 27' ' ' LEU . 19.7 mtp-105 -74.24 -0.93 18.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.773 -173.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.4 ' HD2' ' HA ' ' A' ' 32' ' ' LYS . 2.6 mmtt -66.79 -26.77 67.11 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.34 -14.22 60.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.525 176.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.458 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 86.6 m-70 -90.91 -6.61 53.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.741 176.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -92.83 18.51 8.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.029 176.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.8 mt -109.65 54.82 0.65 Allowed 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 176.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.246 0.918 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.527 -174.62 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 111.734 -0.546 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.3 m 58.43 45.34 16.8 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 120.907 0.384 . . . . 0.0 111.435 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.6 m -70.98 121.58 18.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.478 177.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.602 ' HG3' ' HA2' ' A' ' 8' ' ' GLY . 6.2 mmm-85 54.27 53.18 11.32 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.443 -178.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 73.78 -99.95 1.07 Allowed Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -174.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.458 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 3.2 m -134.58 18.27 3.6 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.976 0.417 . . . . 0.0 110.027 175.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.34 74.23 1.47 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.993 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.602 ' HA2' ' HG3' ' A' ' 4' ' ' ARG . . . -73.5 -100.92 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.909 -0.662 . . . . 0.0 111.51 178.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.499 HG22 ' HE2' ' A' ' 10' ' ' LYS . 0.9 OUTLIER -79.05 157.88 4.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.066 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.531 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER 56.89 148.45 0.05 OUTLIER Pre-proline 0 CA--C 1.539 0.537 0 CA-C-O 121.67 0.747 . . . . 0.0 112.48 177.352 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -60.55 -23.62 75.96 Favored 'Trans proline' 0 CA--C 1.529 0.266 0 C-N-CA 122.193 1.928 . . . . 0.0 112.348 -178.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -131.08 93.52 3.4 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.534 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.664 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -100.0 162.68 12.83 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 177.741 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.651 ' HB3' ' H ' ' A' ' 19' ' ' ARG . 45.2 t -76.02 128.63 82.71 Favored Pre-proline 0 N--CA 1.449 -0.509 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.012 173.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -78.77 -3.63 13.41 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 121.953 1.769 . . . . 0.0 112.009 174.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.431 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 1.6 m-20 -109.61 -40.07 4.96 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.904 0.383 . . . . 0.0 111.161 -176.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.437 ' HB2' ' HG3' ' A' ' 19' ' ' ARG . 80.4 m -94.28 -32.85 13.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.039 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 77.89 39.18 0.17 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.412 -1.267 . . . . 0.0 108.384 -165.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.682 HH21 ' CD2' ' A' ' 30' ' ' HIS . 1.3 mtm-85 -78.49 -160.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.485 -1.234 . . . . 0.0 109.774 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.531 ' HB2' ' HB2' ' A' ' 10' ' ' LYS . 1.5 p -165.32 122.38 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.133 0.492 . . . . 0.0 111.615 178.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.439 ' CZ ' ' HD2' ' A' ' 19' ' ' ARG . 52.8 m-85 -134.41 140.58 46.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.308 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.37 -25.21 46.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.342 0.591 . . . . 0.0 109.645 178.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -115.6 132.9 56.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.303 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.63 -26.77 68.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.973 176.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.463 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -61.2 -41.72 97.32 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.74 177.832 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.602 ' HA ' HD12 ' A' ' 29' ' ' LEU . 1.2 m170 -70.4 -35.08 73.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.33 177.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.496 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.93 -60.57 3.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.078 175.135 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.45 -38.65 69.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.992 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' A' ' 26' ' ' HIS . 69.4 mt -57.69 -49.84 75.17 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 120.839 0.352 . . . . 0.0 111.102 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.682 ' CD2' HH21 ' A' ' 19' ' ' ARG . 0.0 OUTLIER -70.41 -30.26 67.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.44 178.177 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.496 ' HG3' HD12 ' A' ' 27' ' ' LEU . 12.4 mtp-105 -74.98 0.75 14.78 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 121.079 -0.249 . . . . 0.0 111.466 -177.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -68.27 -25.91 65.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.439 0.637 . . . . 0.0 109.354 170.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -77.45 -5.39 49.71 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.415 176.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.461 ' HA ' HG22 ' A' ' 37' ' ' VAL . 70.2 m-70 -98.64 -5.0 32.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.243 0.544 . . . . 0.0 109.56 176.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.5 mtp -88.62 -44.44 10.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.205 -0.907 . . . . 0.0 108.667 171.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.37 81.95 1.95 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.257 175.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.461 HG22 ' HA ' ' A' ' 34' ' ' HIS . 2.9 t . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.425 -0.798 . . . . 0.0 111.002 -174.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.861 0 N-CA-C 112.092 -0.403 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.63 103.02 2.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.761 0.315 . . . . 0.0 110.914 -178.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.6 p -99.78 -27.92 13.4 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.813 0.816 . . . . 0.0 110.013 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.1 mmt-85 -144.73 52.28 1.24 Allowed 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 114.217 -1.356 . . . . 0.0 109.628 177.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 69.62 26.9 73.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.951 -177.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 m 66.73 12.76 9.04 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.392 0.677 . . . . 0.0 111.414 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.464 ' HA ' ' CG ' ' A' ' 13' ' ' GLN . 1.7 p -136.96 73.23 1.44 Allowed 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.29 0.567 . . . . 0.0 110.234 175.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.32 -97.74 1.73 Allowed Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 120.402 -0.904 . . . . 0.0 113.249 -176.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.478 ' HB ' ' HB3' ' A' ' 20' ' ' SER . 5.1 mt -79.68 160.44 4.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.53 -0.335 . . . . 0.0 111.639 -174.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.958 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER 60.2 147.16 0.07 OUTLIER Pre-proline 0 N--CA 1.467 0.402 0 C-N-CA 123.432 0.693 . . . . 0.0 112.3 174.533 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -65.4 -20.54 61.38 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.359 2.039 . . . . 0.0 111.746 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -128.61 83.82 2.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.276 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.581 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -108.74 161.06 15.46 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 179.646 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.533 ' HA ' HD11 ' A' ' 27' ' ' LEU . 38.0 t -73.15 123.69 89.81 Favored Pre-proline 0 C--N 1.329 -0.285 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.399 178.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.51 3.32 6.92 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.379 2.053 . . . . 0.0 112.341 177.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.515 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 0.5 OUTLIER -109.07 -42.67 4.36 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 120.981 0.42 . . . . 0.0 110.412 -178.761 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.554 ' HB2' ' HG2' ' A' ' 19' ' ' ARG . 38.3 m -102.15 -32.11 10.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.619 -179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.0 t0 77.62 52.21 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.725 0.774 . . . . 0.0 109.963 -172.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.581 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 0.3 OUTLIER -85.96 -146.52 0.11 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.201 175.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.958 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -166.71 123.19 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.784 0.326 . . . . 0.0 111.273 176.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -133.61 138.02 45.75 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.83 -24.64 58.64 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.173 0.511 . . . . 0.0 109.951 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 57.1 mtp85 -112.92 136.47 52.54 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.16 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -26.65 68.22 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.47 -1.241 . . . . 0.0 109.827 176.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.691 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -65.39 -40.59 93.65 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.57 175.062 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -67.12 -35.07 78.96 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.439 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.533 HD11 ' HA ' ' A' ' 14' ' ' CYS . 0.3 OUTLIER -54.87 -63.63 1.09 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.139 174.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.535 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -55.95 -36.95 68.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.74 -177.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' A' ' 25' ' ' ASP . 74.0 mt -58.56 -46.48 86.79 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.734 0.302 . . . . 0.0 110.96 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -71.41 -35.93 71.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.091 0.472 . . . . 0.0 110.102 177.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.629 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 16.4 mtp180 -74.18 3.38 7.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.618 -175.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.535 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 1.4 mptp? -61.15 -32.64 72.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.006 0.431 . . . . 0.0 110.577 176.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -78.38 -5.08 51.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.816 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.629 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 86.6 m-70 -101.4 4.13 41.12 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.283 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 17.1 mmt -97.93 24.82 6.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.385 0.612 . . . . 0.0 110.344 178.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.66 72.8 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.418 179.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--O 1.252 1.189 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.475 -177.434 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.558 0 N-CA-C 112.596 -0.202 . . . . 0.0 112.596 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.476 ' OG ' ' HB2' ' A' ' 18' ' ' ASP . 0.8 OUTLIER -81.3 -34.11 32.15 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.871 0.336 . . . . 0.0 110.327 177.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 57.41 -141.86 0.75 Allowed 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.122 176.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 4' ' ' ARG . 0.0 OUTLIER 60.02 56.41 3.4 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.124 0.488 . . . . 0.0 111.018 179.63 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 102.0 -53.6 0.8 Allowed Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.006 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.529 ' HA ' HD11 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -86.62 74.28 9.89 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.945 0.403 . . . . 0.0 110.726 -179.615 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.96 72.32 10.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.57 50.48 30.51 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.382 -0.826 . . . . 0.0 113.159 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.529 HD11 ' HA ' ' A' ' 6' ' ' SER . 1.6 mt -76.69 160.59 4.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 178.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.942 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 3.0 mttt 63.16 147.34 0.09 OUTLIER Pre-proline 0 CA--C 1.536 0.404 0 CA-C-O 121.238 0.542 . . . . 0.0 111.82 177.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -61.5 -20.65 69.4 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.823 2.348 . . . . 0.0 113.009 -175.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -130.57 89.24 2.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.094 0.473 . . . . 0.0 111.101 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -101.33 152.41 20.74 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.864 177.443 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.464 ' HA ' HD11 ' A' ' 27' ' ' LEU . 38.0 t -68.36 128.36 93.12 Favored Pre-proline 0 C--N 1.33 -0.242 0 C-N-CA 120.615 -0.434 . . . . 0.0 109.861 178.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -78.32 2.07 8.39 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.302 2.001 . . . . 0.0 112.47 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -113.06 -41.76 3.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.122 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 18' ' ' ASP . 35.4 m -101.03 -32.46 10.6 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.814 -177.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.476 ' HB2' ' OG ' ' A' ' 2' ' ' SER . 0.3 OUTLIER 77.94 48.38 0.05 OUTLIER 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.663 -172.346 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.606 HH21 ' HB2' ' A' ' 30' ' ' HIS . 5.2 mtm180 -78.17 -155.62 0.08 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.039 175.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.942 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -161.77 120.82 2.4 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.151 -0.62 . . . . 0.0 112.164 177.406 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.426 ' O ' ' HB3' ' A' ' 10' ' ' LYS . 10.2 m-85 -136.23 150.23 48.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.604 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.11 -15.19 26.33 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.278 0.561 . . . . 0.0 110.092 178.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -115.44 135.59 53.96 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.378 177.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -30.38 71.27 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.686 175.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.449 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -61.8 -42.36 98.91 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.826 175.893 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.793 ' HA ' HD12 ' A' ' 29' ' ' LEU . 1.5 m170 -67.72 -38.09 83.1 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.496 179.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.464 HD11 ' HA ' ' A' ' 14' ' ' CYS . 0.4 OUTLIER -55.52 -59.5 4.73 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.636 173.764 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.504 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -55.38 -37.33 67.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.074 -0.966 . . . . 0.0 111.69 -178.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.793 HD12 ' HA ' ' A' ' 26' ' ' HIS . 54.5 mt -56.72 -46.73 81.11 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.01 0.433 . . . . 0.0 110.711 178.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.606 ' HB2' HH21 ' A' ' 19' ' ' ARG . 16.8 t60 -70.67 -37.81 73.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.342 177.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.456 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 16.0 mtp-105 -75.29 -2.64 29.13 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.445 -173.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.781 ' HE2' ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -65.23 -28.77 69.59 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.177 0.513 . . . . 0.0 109.757 174.748 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.8 mtp85 -77.49 -6.13 52.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.795 176.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.456 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 72.6 m-70 -96.5 -9.47 29.55 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 176.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.7 mtt -87.46 -54.98 4.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.676 174.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.0 mt -124.57 92.48 3.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.468 173.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.762 -0.637 . . . . 0.0 110.591 -176.35 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.441 ' O ' ' HA ' ' A' ' 17' ' ' CYS . . . . . . . . 0 N--CA 1.484 1.847 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.0 m 49.92 -112.43 0.57 Allowed 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 122.844 0.458 . . . . 0.0 112.202 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 61.46 18.28 9.22 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.435 0.636 . . . . 0.0 111.205 -176.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -96.03 94.01 7.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.847 177.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 93.15 -39.4 2.97 Favored Glycine 0 N--CA 1.448 -0.522 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -174.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.94 103.55 0.74 Allowed 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 122.602 0.361 . . . . 0.0 110.579 177.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.93 73.89 1.18 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.708 -177.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.09 35.47 33.49 Favored Glycine 0 C--N 1.334 0.42 0 CA-C-N 115.584 -0.734 . . . . 0.0 114.02 177.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.526 ' O ' ' HB3' ' A' ' 20' ' ' SER . 0.8 OUTLIER -77.8 162.84 4.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.708 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.677 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.1 OUTLIER 64.02 149.55 0.11 Allowed Pre-proline 0 CA--C 1.537 0.478 0 CA-C-O 121.395 0.617 . . . . 0.0 111.936 175.426 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -65.19 -30.23 55.16 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.658 2.239 . . . . 0.0 112.613 -175.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -118.67 91.13 3.48 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.954 -175.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -89.41 164.47 14.85 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.989 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.2 t -75.51 125.85 88.21 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.39 168.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -71.58 -10.6 26.98 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.18 1.92 . . . . 0.0 112.304 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -108.37 -32.48 7.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.833 0.349 . . . . 0.0 111.287 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 1' ' ' GLY . 79.7 m -102.11 -31.62 10.52 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -176.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 74.67 23.71 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.201 -0.909 . . . . 0.0 108.915 -167.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.1 mtp85 -67.01 173.21 3.81 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 114.259 -1.337 . . . . 0.0 108.642 171.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.677 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -135.94 127.23 28.3 Favored 'General case' 0 C--N 1.313 -1.0 0 C-N-CA 119.211 -0.996 . . . . 0.0 112.957 -173.485 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.59 ' CE1' HD13 ' A' ' 27' ' ' LEU . 4.2 m-85 -131.83 139.88 48.97 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.126 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.74 -21.26 38.0 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.363 0.602 . . . . 0.0 109.889 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.1 mtp85 -121.7 134.4 54.96 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.686 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.09 -26.33 68.78 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.554 -1.203 . . . . 0.0 110.325 178.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -46.37 83.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.134 175.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.579 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -62.95 -34.29 77.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.173 177.59 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.59 HD13 ' CE1' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -55.89 -59.25 5.15 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.847 175.215 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.43 -39.18 69.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.475 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 26' ' ' HIS . 88.6 mt -56.66 -46.3 81.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.296 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -71.98 -36.3 69.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.169 0.509 . . . . 0.0 110.151 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.543 ' HG3' HD12 ' A' ' 27' ' ' LEU . 11.9 mtp-105 -72.4 -2.61 20.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.947 -173.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.76 -37.0 77.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.192 0.52 . . . . 0.0 110.349 175.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.432 ' HA ' ' HD2' ' A' ' 33' ' ' ARG . 6.3 mmm180 -75.24 -5.21 43.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.08 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.53 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 71.3 m-70 -91.94 -11.37 36.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.168 0.509 . . . . 0.0 110.127 176.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 40.8 mtt -85.68 -22.02 28.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.064 176.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -127.64 65.7 1.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.646 178.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.476 HG13 ' HA ' ' A' ' 34' ' ' HIS . 1.9 m . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.537 -0.744 . . . . 0.0 110.842 -177.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 111.837 -0.505 . . . . 0.0 111.837 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m 59.8 -152.6 0.39 Allowed 'General case' 0 C--O 1.236 0.346 0 C-N-CA 122.355 0.262 . . . . 0.0 110.691 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.586 ' H ' ' HB2' ' A' ' 18' ' ' ASP . 0.2 OUTLIER 55.97 30.92 16.96 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.999 0.428 . . . . 0.0 111.636 179.204 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 4' ' ' ARG . 2.4 mtm180 -96.08 122.64 39.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.138 -177.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 77.76 -88.34 1.05 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.53 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.72 141.99 42.54 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.848 0.356 . . . . 0.0 110.265 178.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.37 74.61 0.88 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.656 -177.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.667 ' HA2' ' NE2' ' A' ' 13' ' ' GLN . . . 63.32 33.07 86.25 Favored Glycine 0 CA--C 1.509 -0.337 0 CA-C-N 115.73 -0.668 . . . . 0.0 113.312 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.509 ' O ' ' HB3' ' A' ' 20' ' ' SER . 9.0 mt -78.34 160.69 4.51 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-N 115.624 -0.288 . . . . 0.0 110.296 176.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.911 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.1 OUTLIER 62.53 147.35 0.09 OUTLIER Pre-proline 0 N--CA 1.466 0.346 0 CA-C-O 121.341 0.591 . . . . 0.0 112.087 177.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -64.39 -15.86 51.97 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 122.582 2.188 . . . . 0.0 113.044 -176.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -131.78 95.19 3.66 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.058 0.456 . . . . 0.0 110.633 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.667 ' NE2' ' HA2' ' A' ' 8' ' ' GLY . 1.3 pt20 -100.29 157.09 16.86 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.888 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.633 ' HB3' ' H ' ' A' ' 19' ' ' ARG . 37.2 t -72.26 127.96 89.56 Favored Pre-proline 0 N--CA 1.454 -0.242 0 C-N-CA 120.362 -0.535 . . . . 0.0 109.658 173.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -79.08 3.87 7.04 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.375 2.05 . . . . 0.0 112.312 178.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -113.13 -41.97 3.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.759 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.51 ' HB2' ' HG2' ' A' ' 19' ' ' ARG . 32.7 m -105.65 -32.59 8.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.731 -177.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.586 ' HB2' ' H ' ' A' ' 3' ' ' THR . 1.2 t0 78.56 48.65 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.472 -169.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.633 ' H ' ' HB3' ' A' ' 14' ' ' CYS . 4.3 mtm180 -80.78 -168.06 1.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.698 -1.137 . . . . 0.0 108.227 172.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.911 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -153.27 126.52 8.56 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 119.784 -0.766 . . . . 0.0 111.865 178.515 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.465 ' CE1' HD13 ' A' ' 27' ' ' LEU . 10.1 m-85 -134.1 142.68 47.61 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.839 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.4 -27.27 56.25 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.147 0.499 . . . . 0.0 110.113 177.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.4 mtp85 -109.52 137.24 47.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.9 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 t -65.2 -28.01 69.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.816 175.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.493 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -64.97 -39.81 94.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.905 178.25 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.453 ' HA ' HD12 ' A' ' 29' ' ' LEU . 2.0 m170 -69.77 -33.84 72.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.648 178.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.519 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.34 -58.29 8.34 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.6 174.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.454 ' O ' ' HD2' ' A' ' 32' ' ' LYS . . . -55.1 -39.39 69.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.764 -178.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 25' ' ' ASP . 96.2 mt -57.51 -49.03 77.65 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.796 0.332 . . . . 0.0 110.91 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -67.5 -36.68 81.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.36 0.6 . . . . 0.0 110.223 177.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.519 ' HG3' HD12 ' A' ' 27' ' ' LEU . 7.2 mtp-105 -73.5 2.22 8.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.841 -174.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.454 ' HD2' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -65.66 -29.09 69.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.26 0.552 . . . . 0.0 109.972 176.113 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.22 -3.64 46.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.596 177.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.478 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 72.5 m-70 -100.8 -1.22 35.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.26 0.552 . . . . 0.0 110.17 178.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.9 mtt -82.05 -31.55 30.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.129 174.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.49 94.15 3.99 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.067 -0.97 . . . . 0.0 108.869 174.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.0 t . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.65 -0.69 . . . . 0.0 110.699 -175.184 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.567 0 N-CA-C 112.33 -0.308 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.671 ' HA ' ' HB2' ' A' ' 18' ' ' ASP . 0.7 OUTLIER -96.61 157.74 15.76 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 177.502 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.53 HG23 ' HB3' ' A' ' 18' ' ' ASP . 17.8 p -129.32 -159.47 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 52.5 mtm-85 -82.99 54.94 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.145 0.497 . . . . 0.0 110.463 177.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -151.74 -85.75 0.05 OUTLIER Glycine 0 N--CA 1.444 -0.82 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.749 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.24 110.37 22.71 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.024 0.44 . . . . 0.0 110.119 176.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.405 ' HA ' ' HB3' ' A' ' 2' ' ' SER . 0.0 OUTLIER -82.22 74.63 9.18 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.394 0.616 . . . . 0.0 111.364 -173.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.46 43.59 90.35 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 114.838 -1.074 . . . . 0.0 113.844 175.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.404 ' H ' HG13 ' A' ' 9' ' ' ILE . 4.1 mt -76.69 160.25 4.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 174.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.781 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER 63.05 147.52 0.09 OUTLIER Pre-proline 0 N--CA 1.468 0.427 0 CA-C-O 121.298 0.57 . . . . 0.0 111.849 178.702 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.84 -25.59 79.81 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.661 2.241 . . . . 0.0 112.775 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -130.04 92.81 3.37 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 120.876 0.369 . . . . 0.0 110.983 -177.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.604 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -98.59 158.41 15.62 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.39 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.553 ' SG ' ' HB2' ' A' ' 16' ' ' ASP . 49.4 t -75.24 123.19 88.62 Favored Pre-proline 0 C--N 1.332 -0.178 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 175.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -74.04 -3.51 13.9 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 122.293 1.995 . . . . 0.0 112.104 176.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.553 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -103.92 -33.23 8.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.472 -178.422 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 86.1 m -113.78 -33.17 5.89 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -174.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.671 ' HB2' ' HA ' ' A' ' 2' ' ' SER . 0.0 OUTLIER 83.76 18.85 0.2 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.656 1.182 . . . . 0.0 110.055 -169.464 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.604 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 7.8 mtp85 -61.64 179.03 0.27 Allowed 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 115.003 -0.998 . . . . 0.0 110.057 171.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.781 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -145.84 130.42 17.89 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.802 -0.759 . . . . 0.0 112.548 -177.896 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -136.49 146.84 46.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.007 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.48 -14.74 39.59 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.305 0.574 . . . . 0.0 109.869 178.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.544 ' HB2' ' HB2' ' A' ' 26' ' ' HIS . 57.1 mtp85 -114.89 134.02 55.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.735 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -28.42 69.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.453 173.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.415 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -66.04 -49.16 68.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.575 177.011 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.544 ' HB2' ' HB2' ' A' ' 23' ' ' ARG . 0.4 OUTLIER -64.44 -33.72 76.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.632 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.446 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.86 -61.25 2.49 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.612 172.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.486 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -55.98 -41.95 75.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.246 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 25' ' ' ASP . 58.6 mt -54.31 -42.26 69.92 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.773 0.321 . . . . 0.0 111.1 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -72.58 -40.65 66.43 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.245 0.545 . . . . 0.0 109.948 175.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.446 ' HG3' HD12 ' A' ' 27' ' ' LEU . 36.2 mtp180 -74.73 1.63 11.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.617 -175.055 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.486 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -68.92 -25.56 64.64 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 172.866 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -75.92 -16.63 59.99 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.49 176.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.51 ' HA ' HG23 ' A' ' 37' ' ' VAL . 69.9 m-70 -86.4 -5.19 59.22 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.5 179.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 90.4 mtp -82.94 -6.76 59.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.28 176.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.38 53.54 1.63 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 176.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.51 HG23 ' HA ' ' A' ' 34' ' ' HIS . 2.4 t . . . . . 0 C--O 1.249 1.035 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.682 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.587 0 N-CA-C 112.045 -0.422 . . . . 0.0 112.045 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.33 170.77 11.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.692 0.282 . . . . 0.0 111.224 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.611 ' HA ' ' CB ' ' A' ' 18' ' ' ASP . 10.0 m 80.24 97.01 0.05 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.756 -176.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.25 -59.25 2.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.073 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 162.04 33.52 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.777 177.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -93.48 -127.86 0.11 Allowed 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 173.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -121.48 76.14 1.23 Allowed 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 120.897 0.379 . . . . 0.0 110.665 175.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.546 ' HA2' ' O ' ' A' ' 19' ' ' ARG . . . -77.41 54.12 3.6 Favored Glycine 0 C--N 1.334 0.457 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.396 -178.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.511 ' O ' ' HB3' ' A' ' 20' ' ' SER . 0.7 OUTLIER -77.79 170.6 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 115.167 -0.517 . . . . 0.0 110.143 178.04 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.456 ' H ' HG22 ' A' ' 9' ' ' ILE . 0.0 OUTLIER 69.18 147.43 0.12 Allowed Pre-proline 0 CA--C 1.53 0.18 0 CA-C-O 121.101 0.477 . . . . 0.0 111.345 177.018 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.15 -19.93 59.1 Favored 'Trans proline' 0 CA--C 1.528 0.193 0 C-N-CA 122.989 2.459 . . . . 0.0 112.623 -177.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.444 ' HB2' ' O ' ' A' ' 21' ' ' PHE . 37.6 m-85 -117.54 84.45 2.16 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.218 0.532 . . . . 0.0 111.193 -178.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.571 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -101.05 156.9 17.15 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 175.667 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.448 ' HA ' HD11 ' A' ' 27' ' ' LEU . 43.7 t -68.52 128.35 93.04 Favored Pre-proline 0 N--CA 1.451 -0.389 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 175.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -73.07 -5.56 17.41 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.505 2.137 . . . . 0.0 112.127 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.04 -32.68 7.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.789 0.328 . . . . 0.0 110.941 -178.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.7 m -110.6 -32.71 6.8 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -173.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.611 ' CB ' ' HA ' ' A' ' 3' ' ' THR . 0.0 OUTLIER 70.28 50.99 0.39 Allowed 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 123.63 1.681 . . . . 0.0 109.5 -171.513 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.571 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 2.3 mtp85 -85.4 -155.11 0.21 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 113.096 -1.866 . . . . 0.0 109.327 172.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.511 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -153.6 123.91 7.04 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.167 -0.613 . . . . 0.0 112.415 179.07 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.472 ' CD1' HD13 ' A' ' 27' ' ' LEU . 13.7 m-85 -137.26 131.85 32.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.736 178.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.84 -22.88 58.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.111 0.482 . . . . 0.0 109.893 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.1 mtp85 -116.3 137.33 52.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.804 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.62 -25.49 67.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.968 174.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -39.27 87.43 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.58 176.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.799 ' HA ' HD12 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -73.19 -32.36 64.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.672 178.136 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.472 HD13 ' CD1' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -55.14 -57.7 10.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.798 173.539 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.521 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -55.11 -37.81 67.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.779 -178.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.799 HD12 ' HA ' ' A' ' 26' ' ' HIS . 23.2 mt -57.46 -41.47 80.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.671 0.272 . . . . 0.0 111.169 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -75.48 -39.79 58.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.13 0.49 . . . . 0.0 110.234 175.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.519 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 16.8 mtp-105 -71.01 -1.15 11.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.922 -173.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.521 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 0.7 OUTLIER -62.15 -30.85 71.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.127 0.489 . . . . 0.0 110.055 174.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -18.21 62.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.16 177.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.519 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 95.1 m-70 -94.71 -2.61 50.81 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.811 177.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.5 mtp -108.43 -24.22 11.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.197 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.7 mt -108.19 53.27 0.69 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 174.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.694 -177.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.456 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.13 178.98 4.41 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 122.931 -0.158 . . . . 0.0 110.777 -178.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 6' ' ' SER . 18.6 m -39.83 138.91 0.7 Allowed 'General case' 0 C--O 1.235 0.332 0 O-C-N 124.012 0.82 . . . . 0.0 112.828 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -143.28 44.04 1.54 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.829 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 128.3 -24.61 4.98 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.754 -0.736 . . . . 0.0 113.031 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.641 ' HB3' HD12 ' A' ' 9' ' ' ILE . 0.9 OUTLIER -133.84 119.1 18.76 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.441 -0.446 . . . . 0.0 111.214 -176.226 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.02 74.21 10.27 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.916 0.389 . . . . 0.0 111.816 -175.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.67 ' HA2' ' NE2' ' A' ' 13' ' ' GLN . . . 59.01 38.98 93.69 Favored Glycine 0 CA--C 1.508 -0.379 0 CA-C-N 115.831 -0.622 . . . . 0.0 113.068 176.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.641 HD12 ' HB3' ' A' ' 6' ' ' SER . 5.0 mt -78.42 162.88 3.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-N 115.571 -0.315 . . . . 0.0 110.448 177.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.581 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.1 OUTLIER 67.61 146.06 0.11 Allowed Pre-proline 0 N--CA 1.47 0.553 0 CA-C-O 121.253 0.549 . . . . 0.0 111.961 177.529 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -74.31 -12.68 23.1 Favored 'Trans proline' 0 CA--C 1.529 0.235 0 C-N-CA 122.668 2.245 . . . . 0.0 112.716 -177.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -124.53 90.17 3.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.868 0.366 . . . . 0.0 110.38 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.728 ' HG2' ' HA ' ' A' ' 20' ' ' SER . 0.3 OUTLIER -111.04 161.91 15.41 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 120.889 0.375 . . . . 0.0 111.257 -178.869 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.472 ' HB3' ' H ' ' A' ' 19' ' ' ARG . 44.3 t -75.13 122.01 86.49 Favored Pre-proline 0 N--CA 1.446 -0.644 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.312 173.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.33 -2.89 12.38 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.436 2.091 . . . . 0.0 112.088 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -110.85 -32.27 6.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.908 -177.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.608 ' HB2' ' HG3' ' A' ' 19' ' ' ARG . 59.3 m -112.06 -32.24 6.63 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -175.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.436 ' HB2' ' O ' ' A' ' 17' ' ' CYS . 0.2 OUTLIER 81.32 34.03 0.11 Allowed 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.862 0.839 . . . . 0.0 108.749 -166.611 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.639 HH21 ' HB2' ' A' ' 30' ' ' HIS . 3.7 mtm180 -83.21 142.6 31.05 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 114.512 -1.222 . . . . 0.0 107.902 171.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.728 ' HA ' ' HG2' ' A' ' 13' ' ' GLN . 0.3 OUTLIER -117.71 138.43 52.02 Favored 'General case' 0 C--N 1.311 -1.084 0 C-N-CA 119.9 -0.72 . . . . 0.0 112.941 -172.278 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.455 ' CE1' HD13 ' A' ' 27' ' ' LEU . 8.3 m-85 -137.55 141.05 41.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.421 -178.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.26 -21.31 29.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.338 0.59 . . . . 0.0 109.926 177.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.7 mtm-85 -111.12 131.25 55.24 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.455 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -25.73 67.53 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.457 -1.247 . . . . 0.0 111.079 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -72.82 -38.02 67.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.531 177.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.548 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -61.91 -31.41 71.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.739 179.102 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.455 HD13 ' CE1' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -55.4 -62.93 1.35 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.056 174.625 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.461 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -55.45 -38.65 69.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.256 -0.883 . . . . 0.0 111.702 -178.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 26' ' ' HIS . 84.9 mt -55.36 -45.49 76.49 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.915 0.388 . . . . 0.0 111.239 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.639 ' HB2' HH21 ' A' ' 19' ' ' ARG . 13.1 t60 -72.95 -38.96 66.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.289 0.566 . . . . 0.0 110.271 177.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.621 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 21.6 mtp-105 -73.12 7.05 2.33 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.519 -173.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.541 ' HE2' ' HA ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -68.84 -26.31 65.09 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 174.233 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.534 ' HD2' ' HA ' ' A' ' 33' ' ' ARG . 3.1 mmm-85 -82.19 6.32 16.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.335 175.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.621 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 88.8 m-70 -116.47 29.96 7.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.883 178.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.412 ' C ' ' HG ' ' A' ' 36' ' ' LEU . 22.6 mtt -106.32 -40.56 5.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.686 -177.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.412 ' HG ' ' C ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -143.98 52.42 1.3 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 177.246 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.149 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.651 -178.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.648 0 N-CA-C 111.897 -0.481 . . . . 0.0 111.897 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.421 ' HA ' ' OD2' ' A' ' 18' ' ' ASP . 0.9 OUTLIER -79.03 147.38 32.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.472 0.177 . . . . 0.0 110.848 -179.064 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.448 ' H ' ' CG ' ' A' ' 18' ' ' ASP . 1.4 m 59.36 49.56 8.71 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.392 0.615 . . . . 0.0 110.906 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.56 135.23 37.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.986 -179.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.34 -97.14 0.13 Allowed Glycine 0 C--N 1.329 0.193 0 CA-C-N 116.115 -0.493 . . . . 0.0 113.139 177.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.26 11.1 4.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.368 0.604 . . . . 0.0 110.001 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.91 96.15 7.65 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.995 175.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 135.4 41.92 0.13 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.162 -0.542 . . . . 0.0 112.098 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.431 ' H ' HG13 ' A' ' 9' ' ' ILE . 1.5 mt -76.68 164.36 3.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 176.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.684 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER 71.4 147.13 0.12 Allowed Pre-proline 0 N--CA 1.467 0.386 0 CA-C-O 121.145 0.498 . . . . 0.0 111.36 179.093 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -62.57 -18.41 63.47 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.812 2.341 . . . . 0.0 112.387 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -122.82 78.87 1.58 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.095 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -94.6 156.37 16.46 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 175.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.586 ' HA ' HD11 ' A' ' 27' ' ' LEU . 43.9 t -67.2 125.81 91.57 Favored Pre-proline 0 C--N 1.327 -0.399 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.583 177.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -71.95 -3.27 12.9 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.295 1.997 . . . . 0.0 112.336 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -112.72 -33.04 6.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.743 0.306 . . . . 0.0 111.411 -179.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 18' ' ' ASP . 61.1 m -107.94 -31.93 7.78 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -177.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.448 ' CG ' ' H ' ' A' ' 3' ' ' THR . 1.0 OUTLIER 75.47 49.12 0.08 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.946 -173.031 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.423 ' HB3' ' H ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -84.59 -148.02 0.1 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.043 177.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.684 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -157.46 122.29 4.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.094 0.473 . . . . 0.0 111.59 177.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.41 ' CD1' HD13 ' A' ' 27' ' ' LEU . 12.5 m-85 -137.8 134.59 35.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.097 178.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.38 -20.84 33.48 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.301 0.572 . . . . 0.0 109.759 -179.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.89 135.26 50.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.236 177.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -28.35 69.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.336 0.589 . . . . 0.0 109.629 173.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.5 -47.43 81.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.36 175.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.621 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -59.71 -38.37 81.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.754 178.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.586 HD11 ' HA ' ' A' ' 14' ' ' CYS . 0.3 OUTLIER -55.29 -60.38 3.47 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.984 174.817 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.35 -37.15 67.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.996 -177.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 26' ' ' HIS . 78.5 mt -58.59 -44.84 89.98 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.944 0.402 . . . . 0.0 111.259 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -71.57 -36.41 70.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.27 0.557 . . . . 0.0 110.018 178.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.505 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 15.0 mtp-105 -74.99 2.33 10.74 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.763 -174.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -39.17 81.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.782 179.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 33' ' ' ARG . 1.4 ttp-105 -84.1 6.83 20.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.621 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.505 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 31.4 m-70 -93.89 -0.27 55.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.1 0.476 . . . . 0.0 110.343 177.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.1 mtp -74.79 -54.72 6.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.397 174.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.515 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -142.02 106.08 4.76 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.023 176.695 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.7 p . . . . . 0 C--O 1.253 1.239 0 CA-C-O 118.545 -0.741 . . . . 0.0 110.516 -175.906 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.834 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.25 115.58 6.21 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 117.084 0.442 . . . . 0.0 110.253 178.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.0 p -72.74 3.35 5.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.039 0.447 . . . . 0.0 111.362 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.06 45.2 24.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.196 -179.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -174.12 -86.23 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.299 -178.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.449 ' HB2' ' OG ' ' A' ' 20' ' ' SER . 4.5 p -70.8 100.61 1.94 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 176.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.68 73.41 10.26 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -175.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.0 45.01 51.16 Favored Glycine 0 C--N 1.334 0.431 0 CA-C-N 116.002 -0.544 . . . . 0.0 113.113 177.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.621 ' O ' ' HB3' ' A' ' 20' ' ' SER . 1.1 mt -77.22 166.88 2.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 177.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.497 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER 69.03 148.13 0.12 Allowed Pre-proline 0 N--CA 1.465 0.3 0 CA-C-O 121.144 0.497 . . . . 0.0 111.586 177.223 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.69 -10.43 22.22 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -128.95 90.6 3.06 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.029 0.442 . . . . 0.0 110.435 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.67 153.23 23.72 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.101 179.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.402 ' HA ' HD11 ' A' ' 27' ' ' LEU . 40.1 t -68.02 128.41 93.3 Favored Pre-proline 0 N--CA 1.453 -0.279 0 C-N-CA 120.554 -0.458 . . . . 0.0 109.94 178.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -76.07 -5.15 16.0 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.403 2.069 . . . . 0.0 112.442 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -108.24 -40.4 5.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.846 0.355 . . . . 0.0 110.87 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.446 ' HB2' ' CG ' ' A' ' 19' ' ' ARG . 18.0 m -106.33 -32.89 7.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.241 -176.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 84.23 24.43 0.11 Allowed 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.956 1.41 . . . . 0.0 110.879 -175.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.446 ' CG ' ' HB2' ' A' ' 17' ' ' CYS . 5.5 mtm180 -64.17 171.24 3.11 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 114.926 -1.033 . . . . 0.0 110.037 170.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.621 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -128.64 139.01 52.47 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -178.126 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.546 ' CD1' HD13 ' A' ' 27' ' ' LEU . 43.7 m-85 -142.72 131.8 23.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.124 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.51 -34.1 71.94 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.165 0.507 . . . . 0.0 110.099 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 23' ' ' ARG . 5.5 mtm-85 -106.9 140.24 40.03 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.381 178.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.17 -26.44 68.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.574 0.702 . . . . 0.0 109.279 174.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.508 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -65.17 -39.72 93.31 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.643 176.013 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.573 ' HA ' HD12 ' A' ' 29' ' ' LEU . 1.9 m170 -68.74 -36.43 78.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.434 177.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.551 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.77 -59.35 4.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.083 175.417 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.577 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -55.42 -37.25 67.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.834 -177.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.573 HD12 ' HA ' ' A' ' 26' ' ' HIS . 95.0 mt -55.13 -45.13 75.56 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.95 0.405 . . . . 0.0 110.739 178.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.419 ' HB2' HH21 ' A' ' 19' ' ' ARG . 14.3 t60 -75.62 -35.84 60.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.256 0.55 . . . . 0.0 110.269 177.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.551 ' HG3' HD12 ' A' ' 27' ' ' LEU . 12.8 mtp-105 -75.71 0.83 16.41 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.232 -173.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.577 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 3.3 mptt -61.42 -31.39 71.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.426 178.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -85.5 6.08 28.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.964 178.267 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.457 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 67.1 m-70 -109.54 7.18 24.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.074 0.464 . . . . 0.0 110.219 177.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.483 ' C ' ' HG ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -76.02 -58.21 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.656 -178.148 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.483 ' HG ' ' C ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -149.16 53.47 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 178.38 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.2 t . . . . . 0 C--O 1.248 1.025 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.826 -177.829 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.723 0 N-CA-C 111.969 -0.452 . . . . 0.0 111.969 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.477 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 0.7 OUTLIER -85.25 106.91 17.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.773 0.321 . . . . 0.0 110.559 -179.734 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.436 ' O ' ' HB2' ' A' ' 4' ' ' ARG . 0.8 OUTLIER 56.06 -135.46 1.27 Allowed 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.404 179.831 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' A' ' 3' ' ' THR . 4.9 mtp180 71.27 79.53 0.16 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.382 0.61 . . . . 0.0 110.275 -176.219 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.16 -90.76 0.62 Allowed Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.469 -176.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.62 144.03 26.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.888 0.375 . . . . 0.0 110.351 176.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.4 p -85.39 95.24 9.18 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.087 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.02 75.37 1.2 Allowed Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.965 -176.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.437 ' HB ' ' HB3' ' A' ' 20' ' ' SER . 1.2 mt -72.52 161.62 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.564 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER 66.21 149.29 0.12 Allowed Pre-proline 0 CA--C 1.535 0.373 0 CA-C-O 121.083 0.468 . . . . 0.0 111.272 179.334 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -58.56 -21.26 53.89 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.905 2.403 . . . . 0.0 113.178 -175.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -127.26 91.08 3.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.008 0.433 . . . . 0.0 111.13 -178.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.67 154.29 18.72 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.103 178.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.42 ' HA ' HD11 ' A' ' 27' ' ' LEU . 41.3 t -70.11 132.26 88.36 Favored Pre-proline 0 C--N 1.329 -0.32 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.012 177.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.01 -6.11 16.41 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.61 2.207 . . . . 0.0 112.897 178.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -112.16 -33.21 6.3 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.843 0.354 . . . . 0.0 111.219 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.413 ' HB2' ' HG2' ' A' ' 19' ' ' ARG . 32.5 m -107.11 -32.25 7.91 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -177.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.7 t70 79.07 40.66 0.1 Allowed 'General case' 0 N--CA 1.469 0.485 0 O-C-N 123.896 0.748 . . . . 0.0 110.233 -175.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.542 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . 3.8 mtm180 -76.71 -158.75 0.11 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.284 178.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.564 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -150.7 120.61 7.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.345 0.593 . . . . 0.0 112.227 178.776 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 14.9 m-85 -133.96 141.79 47.43 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.694 178.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.03 -21.14 27.91 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.484 0.659 . . . . 0.0 109.512 178.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.5 mtp85 -117.08 135.01 54.05 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.518 178.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -27.82 69.06 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 114.757 -1.11 . . . . 0.0 109.783 175.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.592 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -62.51 -42.65 99.65 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.29 175.051 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.533 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -69.31 -35.25 75.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.735 177.775 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.493 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -55.76 -58.81 6.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.56 173.73 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.405 ' O ' ' HD2' ' A' ' 32' ' ' LYS . . . -55.6 -36.31 66.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.736 -179.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 25' ' ' ASP . 95.7 mt -58.68 -42.13 87.79 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.924 0.393 . . . . 0.0 110.73 178.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.418 ' HB2' HH21 ' A' ' 19' ' ' ARG . 12.4 t60 -74.97 -35.54 62.07 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.246 0.546 . . . . 0.0 110.212 176.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.553 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 22.2 mtp-105 -78.37 3.27 16.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.262 -172.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.405 ' HD2' ' O ' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -57.58 -41.76 81.76 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.126 0.489 . . . . 0.0 110.824 178.034 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.961 ' HA ' HD12 ' A' ' 36' ' ' LEU . 4.3 mtm180 -71.96 -14.45 61.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.194 -179.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.553 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 70.5 m-70 -84.51 -9.81 58.01 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.295 178.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 30.1 mtt -95.31 0.56 53.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.838 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.961 HD12 ' HA ' ' A' ' 33' ' ' ARG . 2.0 mt -108.75 70.34 0.74 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.183 177.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.409 HG22 ' H ' ' A' ' 37' ' ' VAL . 2.6 m . . . . . 0 C--O 1.248 1.009 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.596 -175.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.785 0 N-CA-C 112.121 -0.392 . . . . 0.0 112.121 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.38 150.0 42.1 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.045 0.45 . . . . 0.0 111.089 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.677 ' HB ' ' HB ' ' A' ' 7' ' ' THR . 0.2 OUTLIER -127.24 165.93 18.71 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.674 -177.703 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.15 -169.21 1.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.528 0.204 . . . . 0.0 110.458 177.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 71.76 -99.83 0.87 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.279 -0.486 . . . . 0.0 113.209 175.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.47 2.01 3.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.536 0.684 . . . . 0.0 110.265 -177.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.677 ' HB ' ' HB ' ' A' ' 3' ' ' THR . 0.0 OUTLIER -90.99 100.28 13.17 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.627 -1.17 . . . . 0.0 109.762 175.403 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.612 ' HA2' ' NE2' ' A' ' 13' ' ' GLN . . . 125.74 65.03 0.17 Allowed Glycine 0 N--CA 1.442 -0.913 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.836 -172.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.57 ' O ' ' HB3' ' A' ' 20' ' ' SER . 1.7 mt -77.33 175.27 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 122.198 0.199 . . . . 0.0 110.537 177.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.629 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 0.4 OUTLIER 69.21 144.87 0.1 Allowed Pre-proline 0 N--CA 1.454 -0.241 0 CA-C-O 121.924 0.868 . . . . 0.0 112.754 174.666 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 31.2 Cg_exo -61.16 -32.56 91.11 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 123.758 2.972 . . . . 0.0 112.268 -178.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -117.53 83.77 2.05 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.606 0.717 . . . . 0.0 110.808 -177.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.752 ' HG2' ' O ' ' A' ' 19' ' ' ARG . 0.7 OUTLIER -83.65 152.74 24.62 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.4 179.542 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.476 ' SG ' ' HB2' ' A' ' 16' ' ' ASP . 37.7 t -77.19 117.45 65.3 Favored Pre-proline 0 N--CA 1.451 -0.4 0 C-N-CA 119.37 -0.932 . . . . 0.0 109.217 165.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -72.98 -2.19 11.62 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.234 1.956 . . . . 0.0 111.508 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.476 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 1.7 m-20 -105.45 -18.1 14.22 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.925 -176.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.3 m -127.49 -33.03 2.37 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -170.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.73 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 1.8 t70 81.87 15.74 0.48 Allowed 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 -164.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.752 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 5.7 mtp85 -71.49 166.97 20.65 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 114.587 -1.188 . . . . 0.0 108.309 168.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.629 ' HB2' ' HB2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -144.75 135.12 24.32 Favored 'General case' 0 C--N 1.314 -0.939 0 C-N-CA 119.905 -0.718 . . . . 0.0 112.261 -174.197 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.409 ' CD1' HD13 ' A' ' 27' ' ' LEU . 28.6 m-85 -134.97 146.01 48.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.447 -179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.09 -18.19 31.08 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.415 0.626 . . . . 0.0 109.413 178.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -118.23 137.5 52.98 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.754 178.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.41 -26.42 67.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.985 174.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -47.9 80.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.744 178.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.12 -34.55 78.32 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.528 178.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.525 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.89 -62.17 1.88 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.147 174.521 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.451 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -56.05 -38.18 70.24 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.814 -178.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.434 ' O ' ' HB2' ' A' ' 32' ' ' LYS . 55.6 mt -56.98 -50.01 73.98 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 120.892 0.377 . . . . 0.0 110.705 178.208 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.414 ' CD2' ' HE ' ' A' ' 19' ' ' ARG . 7.1 t60 -67.08 -37.41 83.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.562 178.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.525 ' HG3' HD12 ' A' ' 27' ' ' LEU . 14.7 mtp-105 -73.14 -1.24 16.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.643 -174.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -63.06 -28.19 69.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.104 0.478 . . . . 0.0 110.224 174.537 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -80.62 -6.27 58.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.909 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -95.21 -0.83 52.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.158 0.504 . . . . 0.0 110.15 179.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.0 mtt -82.2 -16.14 50.71 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 171.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.8 mt -122.34 54.62 1.18 Allowed 'General case' 0 C--O 1.234 0.289 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.815 172.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 C--O 1.249 1.068 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.446 -176.975 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 17' ' ' CYS . . . . . . . . 0 N--CA 1.484 1.871 0 N-CA-C 112.168 -0.373 . . . . 0.0 112.168 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m 58.07 65.19 1.34 Allowed 'General case' 0 C--O 1.235 0.321 0 C-N-CA 122.993 0.517 . . . . 0.0 111.6 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.437 HG21 ' HA ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -75.49 65.46 1.74 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.596 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.436 ' HB3' ' H ' ' A' ' 5' ' ' GLY . 3.7 mpt_? 59.44 -106.65 0.3 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.766 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.436 ' H ' ' HB3' ' A' ' 4' ' ' ARG . . . -117.08 -44.58 0.57 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.295 -178.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.94 79.69 8.4 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.158 0.504 . . . . 0.0 109.901 177.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.84 74.92 10.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.301 -174.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.616 ' HA2' ' HG2' ' A' ' 13' ' ' GLN . . . 130.61 54.09 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.614 -0.803 . . . . 0.0 113.05 178.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.416 ' O ' ' HB3' ' A' ' 20' ' ' SER . 2.1 mt -77.84 164.43 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 174.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.769 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 8.8 mttt 64.84 147.81 0.1 Allowed Pre-proline 0 N--CA 1.471 0.624 0 CA-C-O 121.37 0.605 . . . . 0.0 112.361 173.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -62.13 -15.02 41.33 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 123.033 2.489 . . . . 0.0 113.8 -175.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.476 ' HB2' ' O ' ' A' ' 21' ' ' PHE . 47.5 m-85 -124.87 89.83 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.971 0.415 . . . . 0.0 110.966 -178.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.616 ' HG2' ' HA2' ' A' ' 8' ' ' GLY . 1.6 mt-30 -95.57 166.78 11.68 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.101 177.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.6 t -75.79 128.6 83.22 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 114.955 -1.02 . . . . 0.0 109.022 167.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -76.37 -10.33 19.02 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 122.174 1.916 . . . . 0.0 112.49 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -104.8 -39.86 6.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.971 0.415 . . . . 0.0 110.96 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 18' ' ' ASP . 61.1 m -96.25 -31.94 12.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.936 -0.574 . . . . 0.0 112.297 -175.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 17' ' ' CYS . 0.5 OUTLIER 78.23 30.68 0.41 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.448 -171.353 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.437 ' HA ' HG21 ' A' ' 3' ' ' THR . 2.3 mtp85 -72.55 -168.67 0.46 Allowed 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 114.759 -1.109 . . . . 0.0 109.363 174.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.769 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -150.27 124.03 9.21 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 119.49 -0.884 . . . . 0.0 112.774 -175.385 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.476 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 3.8 m-85 -134.8 132.89 39.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.224 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.41 -24.94 42.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.16 0.505 . . . . 0.0 110.358 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -115.1 132.84 56.47 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.837 176.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -21.04 66.25 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.846 -178.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.433 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 2.7 t70 -64.79 -47.41 78.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.753 173.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.629 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -58.94 -35.61 73.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.071 177.423 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.561 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.66 -61.52 2.3 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 175.16 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.533 ' O ' ' HD2' ' A' ' 32' ' ' LYS . . . -55.79 -41.01 73.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.534 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 26' ' ' HIS . 89.6 mt -52.74 -45.39 66.99 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.956 0.408 . . . . 0.0 111.153 179.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -75.01 -37.79 61.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.298 0.57 . . . . 0.0 109.883 177.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.565 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 8.2 mtp-105 -74.48 -4.02 34.22 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.152 -173.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.533 ' HD2' ' O ' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -63.81 -33.71 76.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.116 0.484 . . . . 0.0 109.769 178.03 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.47 -4.17 47.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.109 177.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.565 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 39.8 m-70 -88.54 20.81 3.2 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.199 0.523 . . . . 0.0 110.189 176.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.3 mtt -83.05 -4.85 58.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.548 175.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.45 52.67 1.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 176.115 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.7 t . . . . . 0 C--O 1.247 0.966 0 CA-C-N 114.438 -1.255 . . . . 0.0 111.069 -175.88 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.742 0 N-CA-C 111.599 -0.6 . . . . 0.0 111.599 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.775 ' HA ' ' HB2' ' A' ' 18' ' ' ASP . 0.8 OUTLIER -61.24 124.61 21.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.94 0.37 . . . . 0.0 110.692 179.07 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.467 ' H ' ' HB2' ' A' ' 18' ' ' ASP . 0.2 OUTLIER 60.08 63.5 1.42 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.468 -174.423 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.24 -22.43 62.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.602 -175.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.14 78.51 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.193 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 60.32 -80.07 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 123.855 0.862 . . . . 0.0 112.027 178.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.463 HG22 ' H ' ' A' ' 13' ' ' GLN . 1.0 OUTLIER -136.1 95.62 3.24 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.776 176.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.46 -94.28 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.806 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.4 mt -78.68 158.12 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 173.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.887 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.1 OUTLIER 56.71 148.2 0.05 OUTLIER Pre-proline 0 N--CA 1.472 0.644 0 CA-C-O 121.716 0.77 . . . . 0.0 112.82 175.038 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -63.26 -22.22 72.22 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.508 2.139 . . . . 0.0 112.451 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -132.78 91.91 2.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.711 -178.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.736 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -100.26 160.24 14.49 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.455 ' HB3' ' HB2' ' A' ' 19' ' ' ARG . 43.3 t -73.08 125.96 90.68 Favored Pre-proline 0 C--N 1.328 -0.335 0 C-N-CA 120.143 -0.623 . . . . 0.0 109.673 174.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -77.87 -4.24 14.28 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.541 2.16 . . . . 0.0 112.281 178.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -104.73 -36.42 7.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.951 0.405 . . . . 0.0 110.574 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 79.8 m -103.81 -31.98 9.55 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -175.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.775 ' HB2' ' HA ' ' A' ' 2' ' ' SER . 5.0 t70 80.95 37.38 0.09 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.169 -166.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.736 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 0.5 OUTLIER -79.21 -159.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.424 175.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.887 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -165.44 126.04 1.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.765 178.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -134.62 148.37 50.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.956 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -27.81 41.49 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.941 0.401 . . . . 0.0 110.731 -179.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -120.44 135.2 55.12 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-O 121.634 0.73 . . . . 0.0 110.84 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -25.53 68.21 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 114.26 -1.336 . . . . 0.0 110.678 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.525 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -64.13 -41.63 97.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.178 175.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.484 ' HA ' HD12 ' A' ' 29' ' ' LEU . 1.9 m170 -68.11 -34.11 75.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.778 178.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.452 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.55 -59.5 4.75 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.925 173.705 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.457 ' O ' ' HD2' ' A' ' 32' ' ' LYS . . . -55.1 -37.77 67.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.162 -0.927 . . . . 0.0 111.602 -178.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 25' ' ' ASP . 95.7 mt -58.7 -44.44 90.31 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.882 0.373 . . . . 0.0 110.898 179.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -72.54 -37.13 68.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.235 0.54 . . . . 0.0 110.16 177.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.452 ' HG3' HD12 ' A' ' 27' ' ' LEU . 24.0 mtp-105 -71.35 -5.8 35.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.53 -175.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.457 ' HD2' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -62.16 -31.2 71.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.317 0.579 . . . . 0.0 109.908 175.038 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -15.9 61.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.129 178.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 -85.74 1.79 48.12 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.041 -178.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 57.6 mtt -78.41 -9.02 59.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.389 172.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.82 52.35 1.94 Allowed 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.191 -0.913 . . . . 0.0 108.608 174.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 t . . . . . 0 C--O 1.252 1.199 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.784 -179.562 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.893 0 N-CA-C 112.002 -0.439 . . . . 0.0 112.002 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m 57.59 56.28 5.04 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.068 0.461 . . . . 0.0 111.086 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.522 ' HB ' ' O ' ' A' ' 7' ' ' THR . 0.2 OUTLIER -84.47 -1.12 55.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.549 -177.358 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.91 89.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.891 -1.05 . . . . 0.0 112.271 176.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 157.73 -125.77 1.61 Allowed Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.11 -39.17 55.79 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 172.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.522 ' O ' ' HB ' ' A' ' 3' ' ' THR . 0.0 OUTLIER -95.3 96.31 9.07 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 113.1 -1.864 . . . . 0.0 107.75 164.258 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.52 ' HA2' ' CD ' ' A' ' 13' ' ' GLN . . . 128.75 47.05 0.17 Allowed Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.444 -172.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.657 ' O ' ' HG3' ' A' ' 13' ' ' GLN . 0.8 OUTLIER -77.87 162.76 4.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 175.41 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.521 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER 64.35 147.12 0.1 OUTLIER Pre-proline 0 N--CA 1.468 0.464 0 CA-C-O 121.536 0.684 . . . . 0.0 112.308 173.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -67.19 -16.19 48.09 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.61 2.207 . . . . 0.0 112.977 -177.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -128.51 93.2 3.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.968 0.414 . . . . 0.0 110.768 -178.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.657 ' HG3' ' O ' ' A' ' 9' ' ' ILE . 1.1 mt-30 -105.72 160.7 15.01 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.186 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.3 t -72.25 122.88 88.58 Favored Pre-proline 0 N--CA 1.449 -0.519 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 172.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -73.1 -0.78 9.57 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.417 2.078 . . . . 0.0 112.478 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -115.61 -41.05 3.29 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.615 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.0 m -94.58 -33.17 13.13 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -173.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 76.6 24.05 1.04 Allowed 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.622 0.725 . . . . 0.0 109.248 -165.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.523 HH21 ' HB2' ' A' ' 30' ' ' HIS . 5.1 mtp85 -71.35 157.18 38.53 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 114.292 -1.322 . . . . 0.0 108.139 164.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.646 ' HA ' ' HG2' ' A' ' 13' ' ' GLN . 0.5 OUTLIER -129.67 142.95 50.63 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -175.416 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.537 ' CD1' HD13 ' A' ' 27' ' ' LEU . 47.4 m-85 -141.14 143.2 34.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.154 -178.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.17 -20.35 30.37 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.229 0.538 . . . . 0.0 110.395 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.423 HH21 ' CG ' ' A' ' 25' ' ' ASP . 0.8 OUTLIER -124.49 131.49 53.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.859 177.712 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -22.62 65.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.187 0.518 . . . . 0.0 110.644 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.501 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -62.92 -46.37 88.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.274 175.737 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.625 ' HA ' HD12 ' A' ' 29' ' ' LEU . 1.6 m170 -65.37 -35.78 82.0 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.51 176.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.554 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -55.46 -60.63 3.15 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.964 174.873 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.562 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -56.07 -38.16 70.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.694 -178.037 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 26' ' ' HIS . 95.8 mt -55.74 -41.7 74.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.22 0.533 . . . . 0.0 110.622 178.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.523 ' HB2' HH21 ' A' ' 19' ' ' ARG . 18.4 t60 -75.18 -41.29 58.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.591 176.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.593 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 37.5 mtp180 -74.42 -8.88 57.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.677 -172.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.606 ' HA ' ' SD ' ' A' ' 35' ' ' MET . 2.3 mptt -61.8 -30.83 71.08 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.255 0.55 . . . . 0.0 109.646 176.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -72.34 -17.18 61.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.2 177.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.593 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 72.0 m-70 -82.86 -8.92 59.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.062 0.458 . . . . 0.0 110.613 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.606 ' SD ' ' HA ' ' A' ' 32' ' ' LYS . 5.3 mtp -98.1 -9.11 26.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.951 176.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.08 62.79 1.53 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.711 179.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.545 -0.741 . . . . 0.0 110.764 -177.641 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.755 0 N-CA-C 111.718 -0.553 . . . . 0.0 111.718 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m -129.04 159.67 35.2 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.807 0.337 . . . . 0.0 110.496 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.6 p -85.71 171.34 11.7 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.539 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.5 76.34 10.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.84 0.353 . . . . 0.0 110.393 178.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 158.77 -79.32 0.17 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 121.036 -0.602 . . . . 0.0 111.699 -177.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.89 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 0.5 OUTLIER -77.35 146.12 36.9 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 176.763 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.45 83.58 4.57 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.157 0.504 . . . . 0.0 111.535 -174.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.586 ' HA2' ' O ' ' A' ' 19' ' ' ARG . . . -80.97 60.51 4.66 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.156 -179.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.508 HG22 ' H ' ' A' ' 10' ' ' LYS . 2.4 mt -76.29 169.92 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.508 ' H ' HG22 ' A' ' 9' ' ' ILE . 5.1 mttt 72.37 147.0 0.12 Allowed Pre-proline 0 N--CA 1.467 0.381 0 CA-C-O 121.074 0.464 . . . . 0.0 110.779 -179.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -61.71 -16.71 50.37 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.742 2.295 . . . . 0.0 112.692 -176.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.435 ' O ' ' HD1' ' A' ' 21' ' ' PHE . 52.9 m-85 -120.19 77.58 1.27 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.069 0.461 . . . . 0.0 111.13 -178.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.438 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -100.33 156.11 17.42 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 176.325 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.542 ' HA ' HD11 ' A' ' 27' ' ' LEU . 44.8 t -69.16 127.55 92.95 Favored Pre-proline 0 C--N 1.327 -0.382 0 C-N-CA 120.547 -0.461 . . . . 0.0 109.864 178.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -73.84 -2.46 12.27 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.328 2.019 . . . . 0.0 112.54 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -113.99 -37.55 4.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.891 0.376 . . . . 0.0 111.206 -179.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 39.1 m -102.6 -31.85 10.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.66 -178.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.89 ' HB3' ' HB2' ' A' ' 6' ' ' SER . 1.3 t0 72.42 52.79 0.17 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.033 -173.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.586 ' O ' ' HA2' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -85.14 -154.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.439 176.04 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.454 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -153.12 124.42 7.58 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.254 -0.578 . . . . 0.0 112.098 177.399 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.435 ' HD1' ' O ' ' A' ' 12' ' ' PHE . 3.8 m-85 -138.61 135.51 35.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.009 177.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.09 -12.35 50.32 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.4 0.619 . . . . 0.0 109.823 178.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.627 ' HB2' ' HB2' ' A' ' 26' ' ' HIS . 7.0 mtm-85 -110.83 131.52 54.98 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.062 -179.15 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -26.33 68.56 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.254 -1.339 . . . . 0.0 111.196 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -81.34 -32.74 32.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.511 178.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.627 ' HB2' ' HB2' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -62.84 -36.54 83.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.638 178.702 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.542 HD11 ' HA ' ' A' ' 14' ' ' CYS . 0.4 OUTLIER -55.63 -60.82 2.9 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.257 0.551 . . . . 0.0 109.817 174.33 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.479 ' O ' ' HD2' ' A' ' 32' ' ' LYS . . . -55.12 -37.25 66.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.876 -1.056 . . . . 0.0 111.812 -178.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 26' ' ' HIS . 60.0 mt -54.74 -49.8 69.93 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 123.124 0.265 . . . . 0.0 111.225 178.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -70.64 -36.6 73.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.264 0.554 . . . . 0.0 110.189 177.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.472 ' HA ' ' HD2' ' A' ' 34' ' ' HIS . 15.7 mtp-105 -74.71 -4.4 37.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.571 -174.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.479 ' HD2' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -62.95 -27.82 69.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.901 0.382 . . . . 0.0 110.023 176.721 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -78.88 -11.71 60.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.791 177.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.472 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 87.7 m-70 -94.78 -5.48 45.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.906 176.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 45.4 mtt -93.41 19.98 7.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.095 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.76 52.02 1.24 Allowed 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.269 -0.878 . . . . 0.0 108.925 176.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.6 t . . . . . 0 C--O 1.249 1.041 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.445 -178.421 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 111.891 -0.483 . . . . 0.0 111.891 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.662 ' HA ' ' O ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -62.61 131.66 49.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.728 0.299 . . . . 0.0 111.352 -177.796 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.486 ' HA ' ' HB2' ' A' ' 18' ' ' ASP . 0.2 OUTLIER 54.53 39.89 31.44 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.138 179.044 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -25.89 59.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.738 0.304 . . . . 0.0 110.648 178.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.66 -30.86 7.77 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.399 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m 53.24 35.41 19.99 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.123 0.487 . . . . 0.0 111.361 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.93 73.79 1.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.008 -176.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.667 ' HA2' ' HG2' ' A' ' 13' ' ' GLN . . . -79.22 42.71 2.39 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 121.111 -0.566 . . . . 0.0 112.808 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.675 ' O ' ' HB3' ' A' ' 20' ' ' SER . 1.8 mt -78.25 164.77 3.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.135 -0.533 . . . . 0.0 109.796 174.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 21' ' ' PHE . 1.2 mttm 67.06 147.98 0.11 Allowed Pre-proline 0 N--CA 1.466 0.348 0 CA-C-O 121.176 0.512 . . . . 0.0 111.898 174.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -63.66 -17.63 60.74 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 122.582 2.188 . . . . 0.0 113.263 -175.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -126.1 92.55 3.6 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.66 0.267 . . . . 0.0 110.851 -177.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.667 ' HG2' ' HA2' ' A' ' 8' ' ' GLY . 1.7 mp0 -95.6 169.4 10.06 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 121.034 -0.266 . . . . 0.0 110.88 177.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.575 ' HB3' ' H ' ' A' ' 19' ' ' ARG . 52.0 t -76.87 123.96 87.5 Favored Pre-proline 0 C--N 1.318 -0.783 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.762 166.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.64 5.03 5.51 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.405 2.07 . . . . 0.0 112.036 176.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.662 ' O ' ' HA ' ' A' ' 2' ' ' SER . 0.9 OUTLIER -114.2 -40.95 3.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.132 0.491 . . . . 0.0 110.845 -178.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 18' ' ' ASP . 59.0 m -104.23 -31.35 9.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.346 -175.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.486 ' HB2' ' HA ' ' A' ' 3' ' ' THR . 0.1 OUTLIER 78.63 43.25 0.08 Allowed 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -166.759 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.575 ' H ' ' HB3' ' A' ' 14' ' ' CYS . 7.2 mtm180 -80.7 -174.41 4.71 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 171.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.675 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -147.1 129.28 15.62 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 119.701 -0.8 . . . . 0.0 112.222 178.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.468 ' CD1' HD13 ' A' ' 27' ' ' LEU . 28.6 m-85 -133.95 139.12 45.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.375 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.11 -25.65 31.77 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.465 0.65 . . . . 0.0 109.717 177.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.1 mtp85 -111.83 132.15 54.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.563 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.28 -26.81 68.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.253 177.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -68.41 -40.84 81.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.158 177.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.744 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -65.13 -34.68 78.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.718 177.415 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.61 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.27 -62.23 1.81 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.807 175.155 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.6 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -56.22 -35.7 67.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.793 -177.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.744 HD12 ' HA ' ' A' ' 26' ' ' HIS . 51.5 mt -56.19 -45.16 79.91 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.891 0.377 . . . . 0.0 110.963 178.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.568 ' HB2' HH21 ' A' ' 19' ' ' ARG . 20.5 t60 -75.8 -37.72 58.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.424 176.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.61 ' HG3' HD12 ' A' ' 27' ' ' LEU . 20.0 mtp-105 -72.73 -4.15 29.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.348 -175.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.6 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -65.23 -27.18 68.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.964 0.412 . . . . 0.0 110.018 177.349 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -77.07 -8.01 56.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.883 175.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -101.7 1.97 38.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.185 0.517 . . . . 0.0 109.926 178.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.1 mmt -88.29 -23.13 23.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.147 178.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.87 88.99 2.86 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 177.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.0 t . . . . . 0 C--O 1.246 0.905 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.249 -176.284 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.421 ' HA3' ' O ' ' A' ' 14' ' ' CYS . . . . . . . . 0 N--CA 1.483 1.832 0 N-CA-C 111.546 -0.622 . . . . 0.0 111.546 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.705 ' HA ' HG23 ' A' ' 7' ' ' THR . 15.3 m 53.85 49.42 19.13 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.614 0.721 . . . . 0.0 110.389 -177.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.659 ' HB ' ' HB2' ' A' ' 6' ' ' SER . 0.0 OUTLIER -80.97 37.33 0.43 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.716 -174.217 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.67 68.95 0.78 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.529 176.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 93.22 14.58 53.93 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.147 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.659 ' HB2' ' HB ' ' A' ' 3' ' ' THR . 12.6 m -133.02 36.55 3.46 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.429 0.633 . . . . 0.0 109.956 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.705 HG23 ' HA ' ' A' ' 2' ' ' SER . 0.0 OUTLIER -81.28 96.97 7.45 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.329 177.265 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.29 -94.45 0.01 OUTLIER Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 114.541 -1.209 . . . . 0.0 113.725 -170.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.1 mt -79.31 157.82 4.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.363 -175.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.79 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 3.7 mttt 53.88 147.98 0.04 OUTLIER Pre-proline 0 CA--C 1.543 0.705 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 170.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -68.42 -16.58 43.48 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 122.922 2.415 . . . . 0.0 113.208 -177.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -130.18 89.75 2.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.173 0.511 . . . . 0.0 111.036 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.699 ' HG2' ' O ' ' A' ' 19' ' ' ARG . 0.9 OUTLIER -89.63 153.13 20.98 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.086 -178.849 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.476 ' HA ' HD11 ' A' ' 27' ' ' LEU . 36.8 t -70.73 130.39 88.77 Favored Pre-proline 0 N--CA 1.453 -0.318 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 169.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.456 ' HA ' ' HB2' ' A' ' 2' ' ' SER . 61.3 Cg_endo -74.47 -5.02 16.31 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.471 2.114 . . . . 0.0 112.769 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -115.84 -31.77 5.67 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -177.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 86.4 m -104.02 -32.08 9.39 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -174.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 78.96 14.79 1.11 Allowed 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 -167.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.699 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 11.0 mtp85 -62.69 157.91 19.77 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 113.973 -1.467 . . . . 0.0 108.882 167.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.79 ' HB2' ' HB2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -134.55 136.22 42.87 Favored 'General case' 0 C--N 1.31 -1.125 0 C-N-CA 119.368 -0.933 . . . . 0.0 112.925 -170.759 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.421 ' CE1' HD13 ' A' ' 27' ' ' LEU . 4.6 m-85 -135.23 146.81 48.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.59 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.77 -11.99 49.42 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.342 0.591 . . . . 0.0 109.93 178.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.7 mtm-85 -124.55 136.29 53.86 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.71 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -29.61 70.7 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-N 114.404 -1.271 . . . . 0.0 109.785 176.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -40.24 94.84 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.891 175.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -70.49 -31.2 68.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.691 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.601 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -55.64 -60.78 2.95 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 173.543 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.471 ' O ' ' HD3' ' A' ' 32' ' ' LYS . . . -56.05 -41.34 74.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.725 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.9 mt -54.93 -44.31 74.15 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.962 0.41 . . . . 0.0 111.039 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.473 ' HB2' HH21 ' A' ' 19' ' ' ARG . 14.0 t60 -74.49 -38.13 62.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.325 0.583 . . . . 0.0 110.121 177.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.601 ' HG3' HD12 ' A' ' 27' ' ' LEU . 20.5 mtp-105 -74.24 -3.96 33.12 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.419 -173.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.471 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -65.61 -27.47 68.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.118 0.485 . . . . 0.0 109.726 175.461 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.444 ' HD3' HD12 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -74.27 -18.65 60.69 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.644 175.661 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.555 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 92.5 m-70 -87.29 -6.34 58.57 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.025 176.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.7 mmt -87.93 -10.33 50.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.104 178.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.444 HD12 ' HD3' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -121.8 54.3 1.16 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 175.501 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.9 p . . . . . 0 C--O 1.249 1.045 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.248 -175.796 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_