data_2gzp_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 2gzp _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.1 mt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.659 0.266 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -60.64 -38.98 86.61 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.949 -177.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -68.31 -41.73 80.45 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.201 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -74.67 -31.31 61.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.46 -176.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.6 pp -74.71 -30.68 61.62 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.267 0.556 . . . . 0.0 110.073 177.235 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.461 ' N ' HD12 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -60.21 -25.71 65.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.992 -1.003 . . . . 0.0 110.391 175.692 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.3 m -64.08 -26.31 68.49 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.023 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -142.15 102.26 4.08 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.126 0.788 . . . . 0.0 113.126 -175.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.14 -37.81 3.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.96 -0.638 . . . . 0.0 113.586 168.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.413 ' CE3' HG13 ' A' ' 74' ' ' VAL . 12.6 m95 -92.29 140.63 29.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.018 0.437 . . . . 0.0 111.491 -176.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.456 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 35.9 tt0 -151.69 127.9 5.17 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.615 176.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.59 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 3.0 Cg_exo -74.64 116.74 4.7 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.568 2.179 . . . . 0.0 111.497 178.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.466 ' CG1' ' HB2' ' A' ' 73' ' ' ALA . 16.6 m -109.37 -170.39 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.742 -176.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.48 ' HB2' HG21 ' A' ' 26' ' ' THR . 32.0 mt-10 -141.92 -170.44 3.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.148 -171.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.442 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -106.29 -50.59 3.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.586 0.232 . . . . 0.0 111.605 -177.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.5 m -72.09 1.21 7.8 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -175.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.48 HG21 ' HB2' ' A' ' 23' ' ' GLU . 9.7 t -137.08 13.58 3.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.814 0.34 . . . . 0.0 110.884 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 24' ' ' ALA . 10.8 p -73.14 -35.13 46.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.598 -177.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.25 -48.8 67.93 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.178 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -68.61 -35.0 76.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -177.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.44 ' O ' HG21 ' A' ' 34' ' ' VAL . 81.8 t90 -62.09 -49.43 75.98 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.043 0.449 . . . . 0.0 110.084 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 48.6 mt -61.78 -43.28 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.344 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 tmmm? -62.45 -38.45 89.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.724 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -68.14 -46.27 71.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.006 -173.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.44 HG21 ' O ' ' A' ' 30' ' ' TRP . 33.9 m -93.29 -42.28 13.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.56 -175.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.79 6.38 67.02 Favored Glycine 0 CA--C 1.516 0.11 0 CA-C-N 116.295 -0.411 . . . . 0.0 113.137 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -160.75 104.33 1.37 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -175.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.529 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . 167.79 -174.63 42.79 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.611 -178.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.549 HG12 ' HA ' ' A' ' 97' ' ' VAL . 27.1 m -135.18 148.75 28.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.507 0.194 . . . . 0.0 110.926 -177.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 mp -109.16 120.46 60.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 172.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 tt -95.44 118.71 32.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.762 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.554 HD11 HD21 ' A' ' 96' ' ' LEU . 10.5 mp -81.52 139.73 34.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.264 178.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.434 ' HB2' ' HB2' ' A' ' 80' ' ' SER . 5.1 m . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.008 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.1 t . . . . . 0 N--CA 1.455 -0.215 0 CA-C-O 120.864 0.364 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.8 mtt -56.62 -37.26 70.47 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.479 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.6 mp -65.86 -41.31 89.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-O 121.062 0.458 . . . . 0.0 109.932 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.482 ' O ' ' HD3' ' A' ' 63' ' ' ARG . . . -65.66 -36.16 82.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.209 177.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.578 ' HA ' ' NH1' ' A' ' 63' ' ' ARG . 8.3 tp10 -62.06 -54.26 43.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.671 176.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -53.73 -44.41 69.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.588 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.495 HD11 HG22 ' A' ' 72' ' ' VAL . 55.3 tp -47.94 -47.86 32.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.063 -178.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.578 ' NH1' ' HA ' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -83.53 -26.3 30.26 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -177.586 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.411 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 6.0 mm-40 -81.98 1.85 33.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.807 0.336 . . . . 0.0 111.326 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -97.77 105.57 27.86 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.253 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 96.5 Cg_endo -90.43 -0.34 5.3 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 122.961 2.441 . . . . 0.0 113.286 -176.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.1 -68.92 0.45 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -177.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.56 ' HD1' ' H ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -137.51 163.44 31.13 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.09 -177.288 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -102.26 80.17 1.93 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.537 -174.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.529 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -89.29 167.01 13.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.046 179.72 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.406 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 39.1 mt-30 -115.75 143.63 45.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.599 -175.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.495 HG22 HD11 ' A' ' 62' ' ' LEU . 64.6 t -103.06 101.73 12.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.333 0.587 . . . . 0.0 111.166 -176.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.466 ' HB2' ' CG1' ' A' ' 22' ' ' VAL . . . -96.17 126.19 41.21 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.449 176.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.59 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 29.5 m -118.89 148.88 21.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-O 120.846 0.355 . . . . 0.0 111.085 -174.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.554 ' HB1' ' HB2' ' A' ' 79' ' ' GLN . . . -95.76 139.24 32.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.077 176.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.442 ' OD1' HD21 ' A' ' 77' ' ' LEU . 5.7 t70 -61.97 -71.67 0.15 Allowed 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.433 0.458 . . . . 0.0 110.829 -175.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.513 ' HG ' ' N ' ' A' ' 78' ' ' GLU . 2.3 pt? -154.52 -65.31 0.13 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.726 174.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.513 ' N ' ' HG ' ' A' ' 77' ' ' LEU . 40.1 tt0 -65.36 -32.5 74.17 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.062 0.458 . . . . 0.0 110.927 -177.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.554 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . 8.6 mm100 -54.83 -30.0 56.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.381 -177.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.434 ' HB2' ' HB2' ' A' ' 42' ' ' SER . 17.7 t -56.23 -40.55 74.27 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.567 -176.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.8 ' HA ' ' HD3' ' A' ' 90' ' ' ARG . 35.6 tt0 -63.2 -47.46 82.49 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.726 -176.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.45 -43.64 85.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.954 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 67.8 mt -65.4 -49.1 80.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.544 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.557 ' HA3' ' HB2' ' A' ' 90' ' ' ARG . . . -65.59 -32.09 82.13 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.834 -178.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -71.15 -39.68 71.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.197 0.523 . . . . 0.0 110.198 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -49.51 -40.13 36.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.702 -1.135 . . . . 0.0 112.619 -175.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.426 ' HD1' HG21 ' A' ' 89' ' ' VAL . 2.0 p90 -123.14 14.82 9.82 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 59.5 t30 56.75 73.77 0.44 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.562 -0.744 . . . . 0.0 112.072 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.629 HG23 HD12 ' A' ' 96' ' ' LEU . 79.5 t -136.76 -17.31 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.274 176.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.8 ' HD3' ' HA ' ' A' ' 81' ' ' GLU . 53.1 ttp85 -63.71 117.98 7.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.121 0.486 . . . . 0.0 111.019 -175.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -178.0 -35.45 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -150.94 152.14 31.13 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 114.815 -1.084 . . . . 0.0 108.962 176.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -58.63 114.77 2.13 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.652 2.235 . . . . 0.0 111.947 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.81 163.8 32.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.3 m -118.79 124.08 46.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.038 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.691 HD13 ' HB3' ' A' ' 106' ' ' ALA . 1.9 mm? -89.58 133.77 34.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.697 0.284 . . . . 0.0 110.31 -176.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.549 ' HA ' HG12 ' A' ' 38' ' ' VAL . 42.1 t -98.58 114.84 37.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.676 -175.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -108.56 101.25 10.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.242 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.7 p -112.66 138.15 49.88 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.968 -178.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.7 t70 70.88 12.49 7.11 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.676 0.61 . . . . 0.0 110.279 -178.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.07 5.26 86.06 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.969 -174.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -122.35 147.02 46.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.159 0.504 . . . . 0.0 111.609 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 55.8 tp -77.28 123.28 26.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.835 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.599 ' NE ' ' HA ' ' A' ' 104' ' ' ARG . 4.1 mmp_? -119.88 -40.89 2.7 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -178.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -150.51 -171.21 18.55 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.062 -1.066 . . . . 0.0 112.605 -177.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.691 ' HB3' HD13 ' A' ' 96' ' ' LEU . . . -154.08 147.4 24.88 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.811 0.338 . . . . 0.0 110.564 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -98.98 120.32 39.23 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.718 ' HB2' HD13 ' A' ' 110' ' ' ILE . 10.5 p -91.12 -39.94 11.87 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -173.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 82.22 36.91 16.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.112 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.718 HD13 ' HB2' ' A' ' 108' ' ' SER . 1.7 mp -93.17 -39.75 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -116.18 101.18 53.92 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 177.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -44.1 109.3 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 124.118 3.212 . . . . 0.0 114.07 -172.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.716 ' HA ' HD11 ' A' ' 116' ' ' LEU . 6.3 t-105 72.0 -37.76 0.4 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 114.691 -1.141 . . . . 0.0 112.924 173.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.13 -36.23 67.99 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.796 0.331 . . . . 0.0 111.83 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -77.9 -18.07 56.57 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.86 -177.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.716 HD11 ' HA ' ' A' ' 113' ' ' TRP . 24.7 mt -63.72 -37.26 86.7 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 175.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.5 ' O ' ' HB2' ' A' ' 121' ' ' ARG . 79.7 mt -71.7 -41.92 68.02 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.157 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.0 m -81.98 -44.09 17.16 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -175.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 86.3 mt -73.42 -48.93 29.88 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 122.381 -0.2 . . . . 0.0 111.514 -175.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 25.8 mmt -64.49 -31.25 72.39 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.185 -0.206 . . . . 0.0 111.02 -177.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.5 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 2.9 tmt_? -58.97 -35.89 73.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.355 0.598 . . . . 0.0 109.97 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 26.3 t -76.31 -30.63 57.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 62.8 mt -83.29 -46.3 18.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.133 0.492 . . . . 0.0 110.81 -176.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.1 m -125.98 87.4 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-O 121.991 0.9 . . . . 0.0 109.332 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.1 t70 . . . . . 0 C--N 1.322 -0.623 0 CA-C-N 113.966 -1.47 . . . . 0.0 111.991 177.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.4 mt . . . . . 0 CA--C 1.528 0.1 0 CA-C-O 120.649 0.261 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.515 ' HZ3' HD13 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -64.99 -32.58 74.38 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-O 121.171 0.51 . . . . 0.0 109.961 -179.583 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -78.08 -38.89 43.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.045 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -73.89 -28.63 61.65 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -176.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 pp -69.79 -26.91 64.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.379 0.609 . . . . 0.0 110.04 176.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.515 HD13 ' HZ3' ' A' ' 11' ' ' TRP . 86.2 mt -74.25 -27.59 60.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.995 175.123 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 43.6 m -56.45 -43.01 79.1 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.394 -176.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -163.47 106.97 1.01 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.816 178.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.16 -64.77 0.58 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.508 -0.853 . . . . 0.0 113.069 175.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -91.58 167.36 12.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.218 0.532 . . . . 0.0 111.076 -173.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.401 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 26.8 tt0 -156.85 135.79 7.89 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.299 176.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.722 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 11.8 Cg_exo -72.65 124.74 10.0 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.342 2.028 . . . . 0.0 111.264 176.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.473 HG13 ' HB3' ' A' ' 73' ' ' ALA . 14.6 m -93.42 -177.38 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.36 -178.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.567 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -141.93 -170.02 3.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.094 -175.349 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.425 ' O ' HG13 ' A' ' 27' ' ' VAL . . . -107.72 -36.0 6.53 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.179 0.514 . . . . 0.0 110.19 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.9 m -69.41 -28.45 66.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.885 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.8 t -120.48 15.92 12.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.519 -175.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.567 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 13.9 p -69.38 -35.57 67.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-O 120.904 0.383 . . . . 0.0 110.406 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -65.66 -47.24 76.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.676 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -60.17 -41.88 93.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.544 178.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.451 ' O ' HG21 ' A' ' 34' ' ' VAL . 33.4 t90 -63.9 -49.51 72.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.645 -178.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.479 HD12 ' CD1' ' A' ' 39' ' ' ILE . 29.6 mm -63.47 -39.69 86.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.91 0.386 . . . . 0.0 110.951 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.412 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -63.26 -32.82 74.32 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.667 177.173 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.22 -45.78 17.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.201 -176.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.451 HG21 ' O ' ' A' ' 30' ' ' TRP . 34.5 m -85.1 -41.43 15.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -175.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.15 -45.25 2.76 Favored Glycine 0 C--N 1.329 0.186 0 C-N-CA 121.443 -0.408 . . . . 0.0 112.641 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -122.99 104.41 9.21 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.742 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . -166.81 -165.69 24.64 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.805 -177.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 96' ' ' LEU . 2.4 p -155.14 139.89 9.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.225 0.536 . . . . 0.0 111.503 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.479 ' CD1' HD12 ' A' ' 31' ' ' ILE . 1.9 mp -109.01 115.8 50.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.757 177.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.529 ' HB3' HG21 ' A' ' 74' ' ' VAL . 2.7 tt -79.12 108.24 12.47 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 174.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.554 ' HG ' ' OG ' ' A' ' 80' ' ' SER . 9.7 tp -72.23 128.71 36.52 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.7 -177.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.588 ' HB2' ' HB3' ' A' ' 93' ' ' PRO . 21.6 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.914 -177.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.461 0.124 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 95.4 mmm -53.17 -34.62 57.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.133 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.413 HD11 ' N ' ' A' ' 58' ' ' ILE . 2.9 mp -71.94 -32.78 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.93 0.395 . . . . 0.0 110.292 -179.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.52 -32.18 70.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.074 0.464 . . . . 0.0 110.19 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.59 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.9 tp10 -71.17 -43.68 67.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.343 174.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.0 tp -53.7 -41.91 67.46 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.891 177.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 63.8 tp -48.58 -47.43 39.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.951 -1.022 . . . . 0.0 112.322 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.59 ' HD3' ' OE1' ' A' ' 60' ' ' GLU . 0.8 OUTLIER -82.56 -25.84 32.95 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.212 -178.112 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.416 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 6.7 mm-40 -79.11 -10.56 59.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.44 ' HD1' ' HB2' ' A' ' 67' ' ' GLN . 0.1 OUTLIER -106.87 97.12 16.39 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.028 -178.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 96.8 Cg_endo -89.19 9.49 3.52 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.812 2.342 . . . . 0.0 111.726 178.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.44 ' HB2' ' HD1' ' A' ' 65' ' ' PHE . 14.4 mm100 -89.27 -22.3 22.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.088 -174.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -134.25 159.78 39.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.259 0.552 . . . . 0.0 112.174 -173.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.65 22.96 13.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.991 -1.004 . . . . 0.0 108.366 171.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.742 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -54.57 154.63 4.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.07 -1.423 . . . . 0.0 114.007 -172.49 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.403 HE21 ' HB2' ' A' ' 71' ' ' GLN . 1.9 mp0 -92.18 119.79 32.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.668 173.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 45.3 t -84.99 129.52 37.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.015 0.436 . . . . 0.0 110.899 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.473 ' HB3' HG13 ' A' ' 22' ' ' VAL . . . -134.46 159.4 41.22 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.673 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.722 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 7.2 p -136.04 150.09 27.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 -179.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.34 169.57 16.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.99 0.424 . . . . 0.0 111.535 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -82.72 23.25 0.82 Allowed 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.49 0.662 . . . . 0.0 110.592 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 54.9 tp 76.74 -60.1 0.48 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.393 1.077 . . . . 0.0 111.439 176.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -77.64 -45.73 24.16 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.956 0.408 . . . . 0.0 110.34 -176.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.547 ' HG2' ' HG2' ' A' ' 23' ' ' GLU . 4.1 tp-100 -54.67 -24.68 22.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.985 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.554 ' OG ' ' HG ' ' A' ' 41' ' ' LEU . 43.3 t -51.1 -36.81 42.25 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.96 178.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -62.35 -43.36 99.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.69 0.281 . . . . 0.0 110.745 -177.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.03 -33.0 74.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.847 177.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.7 mt -68.44 -49.55 64.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.345 177.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.534 ' HA2' ' CE1' ' A' ' 87' ' ' PHE . . . -63.87 -29.95 76.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.049 178.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -68.11 -38.88 82.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.166 0.508 . . . . 0.0 110.73 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.442 ' HA ' ' HE ' ' A' ' 86' ' ' ARG . 2.9 tpm_? -49.7 -48.47 49.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.876 -179.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.534 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 2.6 p90 -107.05 -0.85 22.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.623 0.249 . . . . 0.0 111.212 -178.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 50.28 69.21 0.65 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.591 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 91.6 t -130.55 94.87 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.316 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.2 mmm-85 59.94 -163.87 0.23 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.154 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 68.1 ttt180 -150.97 30.95 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.587 0.708 . . . . 0.0 109.398 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -128.58 154.21 79.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.508 -176.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.588 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 15.4 Cg_endo -57.94 119.79 7.27 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.923 2.416 . . . . 0.0 112.6 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.539 ' H ' ' HB3' ' A' ' 41' ' ' LEU . . . -145.3 172.45 13.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.981 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 35.0 m -114.04 115.62 27.88 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.501 ' O ' HG23 ' A' ' 38' ' ' VAL . 5.3 mp -105.49 127.22 52.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.87 0.367 . . . . 0.0 110.558 -178.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 81.7 t -89.75 116.87 31.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.928 -178.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.41 ' CZ ' HD11 ' A' ' 103' ' ' LEU . 45.3 m-85 -112.61 94.88 5.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.835 178.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 40.5 p -131.7 151.17 51.84 Favored 'General case' 0 C--N 1.311 -1.071 0 C-N-CA 120.881 -0.327 . . . . 0.0 110.215 -176.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.1 t70 69.7 9.4 7.17 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.776 0.673 . . . . 0.0 110.457 -177.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.77 1.8 84.9 Favored Glycine 0 N--CA 1.443 -0.847 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.454 -174.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -115.42 148.13 39.73 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 117.094 0.447 . . . . 0.0 111.809 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.439 HD13 ' HB3' ' A' ' 96' ' ' LEU . 43.1 tp -77.26 102.01 6.5 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 169.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 104' ' ' ARG . 10.6 mmm180 -74.53 -28.31 60.91 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.929 -174.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 153.08 177.71 26.92 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.392 -0.909 . . . . 0.0 112.547 178.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.411 ' HB1' ' HG ' ' A' ' 96' ' ' LEU . . . -117.86 138.55 52.03 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.831 0.348 . . . . 0.0 110.433 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -104.31 129.51 52.17 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.102 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.4 p -95.86 3.98 53.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.174 0.511 . . . . 0.0 111.527 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -80.44 71.4 2.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.874 177.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 15.3 tt -71.32 -26.93 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -175.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.688 ' HB3' ' HD3' ' A' ' 112' ' ' PRO . 7.0 t-160 -145.01 -54.06 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.487 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.379 -177.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.688 ' HD3' ' HB3' ' A' ' 111' ' ' HIS . 17.0 Cg_exo -67.96 127.0 15.34 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 122.055 1.836 . . . . 0.0 111.648 177.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -98.67 95.28 7.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.036 0.446 . . . . 0.0 110.391 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -147.88 -56.66 0.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.619 176.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -67.35 -25.98 66.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.078 -175.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 20.1 mt -54.33 -36.56 63.9 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.97 -178.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -66.91 -49.22 66.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.938 0.399 . . . . 0.0 110.095 -177.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 24.6 m -71.29 -41.83 69.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.234 -177.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.63 -40.49 88.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.936 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 43.6 ttm -56.06 -41.46 75.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.624 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 21.2 ttm-85 -54.99 -51.21 66.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.158 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.3 m -75.41 -45.53 38.34 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.332 -177.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 74.6 mt -68.26 -49.25 68.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -173.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 19.6 m -115.44 45.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.516 0.674 . . . . 0.0 110.869 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.1 t70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.487 173.103 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.212 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -54.75 -40.39 69.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.009 175.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -69.4 -34.12 74.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.738 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -64.12 -28.23 69.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.077 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.8 mt -64.07 -37.02 85.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.432 177.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mp -64.87 -24.23 67.47 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.538 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.9 m -64.69 -25.84 68.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.253 0.549 . . . . 0.0 110.279 175.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.464 ' HA ' ' NE ' ' A' ' 17' ' ' ARG . 6.9 mmp_? -106.89 -133.95 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.605 178.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.13 -124.83 1.9 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.74 175.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.5 m95 64.21 112.3 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.735 0.779 . . . . 0.0 111.617 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.95 106.98 59.73 Favored Pre-proline 0 C--N 1.317 -0.839 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.932 -178.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.598 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 31.1 Cg_exo -61.82 109.72 0.84 Allowed 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 122.868 2.379 . . . . 0.0 111.844 174.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.406 ' CG1' ' HB3' ' A' ' 73' ' ' ALA . 13.7 m -98.75 -173.66 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.88 -174.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -144.03 168.33 20.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.581 -173.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.85 -23.9 31.12 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 168.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.3 m -71.69 -23.89 61.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.155 -0.929 . . . . 0.0 111.064 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.9 p -127.07 16.1 7.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.647 -177.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.9 p -64.3 -40.38 88.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.669 0.271 . . . . 0.0 110.929 -176.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -69.66 -30.1 67.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.241 0.543 . . . . 0.0 110.186 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -78.51 -44.26 24.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.931 -177.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.438 ' CZ2' ' HB2' ' A' ' 73' ' ' ALA . 68.0 t90 -59.87 -51.42 69.8 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.772 -178.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.9 mt -57.62 -39.69 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 121.132 0.491 . . . . 0.0 110.593 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.47 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -64.29 -35.41 80.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.457 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -80.21 -45.44 18.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.804 0.335 . . . . 0.0 110.929 -176.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.418 ' HB ' ' NE2' ' A' ' 71' ' ' GLN . 33.6 m -76.03 -41.71 38.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.311 -174.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.32 -50.65 4.36 Favored Glycine 0 N--CA 1.451 -0.31 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 -177.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -127.01 142.0 51.65 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.454 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . 160.52 -163.04 33.81 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.419 178.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.458 HG21 ' O ' ' A' ' 96' ' ' LEU . 1.8 p -154.2 137.48 7.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.977 0.417 . . . . 0.0 111.779 -176.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.507 HD13 ' CE1' ' A' ' 98' ' ' PHE . 2.3 mp -103.47 120.31 53.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.676 176.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.452 HD23 ' O ' ' A' ' 42' ' ' SER . 0.5 OUTLIER -89.77 116.16 27.66 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.692 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.433 HD11 HG21 ' A' ' 39' ' ' ILE . 10.4 mp -80.63 100.5 8.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.575 0.226 . . . . 0.0 110.891 179.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.452 ' O ' HD23 ' A' ' 40' ' ' LEU . 58.3 m . . . . . 0 N--CA 1.467 0.406 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.565 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.418 ' O ' ' HB3' ' A' ' 57' ' ' MET . 29.5 m . . . . . 0 C--O 1.234 0.251 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.418 ' HB3' ' O ' ' A' ' 56' ' ' VAL . 46.2 ttm 74.82 -48.39 0.64 Allowed 'General case' 0 N--CA 1.471 0.602 0 O-C-N 123.83 0.706 . . . . 0.0 111.734 177.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.416 HD11 HD13 ' A' ' 40' ' ' LEU . 53.6 mt -58.53 -49.4 82.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.6 -178.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.69 -47.03 79.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.076 -177.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -57.87 -49.33 77.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.221 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.9 tp -52.96 -51.22 62.19 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.713 0.768 . . . . 0.0 111.046 178.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.516 ' HG ' ' NE1' ' A' ' 70' ' ' TRP . 9.8 mp -71.12 -15.08 62.49 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.598 -1.183 . . . . 0.0 112.361 -174.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.9 mtp180 -87.31 -43.48 12.13 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.791 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -92.56 13.2 20.53 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.347 -177.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.464 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 1.3 t80 -81.79 103.8 2.52 Favored Pre-proline 0 C--N 1.33 -0.257 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 172.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 65' ' ' PHE . 2.5 Cg_endo -80.77 -5.11 13.08 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.975 2.45 . . . . 0.0 113.214 -170.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.93 -27.13 16.54 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.394 -174.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.57 ' HE2' HG21 ' A' ' 124' ' ' VAL . 90.7 m-85 -134.95 145.1 47.84 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -173.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -117.37 65.7 0.73 Allowed 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 164.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.516 ' NE1' ' HG ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -79.25 162.94 25.35 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.545 -172.557 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.418 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 39.0 mt-30 -90.05 122.98 33.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.313 -176.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.46 HG23 HD21 ' A' ' 62' ' ' LEU . 14.3 t -91.7 124.94 44.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.264 -173.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.438 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . . . -116.22 148.58 40.28 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.277 177.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.598 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 8.5 p -139.35 142.66 32.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.78 0.324 . . . . 0.0 110.517 -178.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.49 ' HB2' ' HB2' ' A' ' 79' ' ' GLN . . . -108.67 153.4 23.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.266 177.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.07 -96.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.429 ' HA ' ' HG ' ' A' ' 42' ' ' SER . 92.0 mt -133.71 -52.43 0.86 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.178 -0.327 . . . . 0.0 110.806 -177.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -76.61 -32.91 58.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.023 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.49 ' HB2' ' HB2' ' A' ' 75' ' ' ALA . 84.0 mm-40 -63.52 -39.42 94.38 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 112.179 -175.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.427 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . 31.9 p -54.72 -51.53 65.32 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -175.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -67.95 -33.43 74.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.729 0.3 . . . . 0.0 110.778 -177.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.76 -40.09 88.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.931 0.396 . . . . 0.0 110.42 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 81.3 mt -66.93 -37.7 79.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.304 0.573 . . . . 0.0 109.908 174.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.488 ' HA2' HG22 ' A' ' 89' ' ' VAL . . . -65.17 -27.83 72.82 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.337 177.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -75.48 -34.5 60.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.077 0.465 . . . . 0.0 110.158 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 -47.03 -40.38 14.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.706 -1.133 . . . . 0.0 112.452 -175.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.579 ' CE1' HG23 ' A' ' 89' ' ' VAL . 49.3 p90 -131.2 4.64 4.41 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.887 177.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 64.99 82.12 0.19 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.313 175.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.579 HG23 ' CE1' ' A' ' 87' ' ' PHE . 16.7 t -69.12 -82.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.94 177.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.427 ' O ' ' HB2' ' A' ' 91' ' ' ARG . 10.0 tpp180 -162.08 9.87 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.012 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.433 ' HA ' ' HD3' ' A' ' 91' ' ' ARG . 30.7 mmt180 66.07 29.16 10.14 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.586 -173.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 72.2 m-85 -135.33 146.8 59.44 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.925 176.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 92' ' ' PHE . 14.4 Cg_exo -69.38 137.77 37.39 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.858 2.372 . . . . 0.0 111.938 177.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -152.21 -176.91 5.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.67 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.557 ' HB ' ' HB2' ' A' ' 107' ' ' LEU . 3.7 m -116.65 115.23 25.28 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.458 ' O ' HG21 ' A' ' 38' ' ' VAL . 50.4 mt -98.93 128.54 45.12 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.768 0.285 . . . . 0.0 111.768 -171.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 57.8 t -96.91 124.89 49.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.06 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.507 ' CE1' HD13 ' A' ' 39' ' ' ILE . 93.5 m-85 -121.14 126.95 51.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.025 0.44 . . . . 0.0 110.854 -178.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.1 p -142.64 142.55 32.1 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.683 176.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 65.34 20.32 11.8 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.782 0.325 . . . . 0.0 110.987 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.94 14.56 75.97 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.95 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -123.49 150.08 44.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.643 0.258 . . . . 0.0 110.819 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.409 HD12 ' CZ ' ' A' ' 98' ' ' PHE . 58.7 tp -81.02 119.41 23.48 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 177.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.518 ' HG2' HG21 ' A' ' 123' ' ' ILE . 0.5 OUTLIER -96.99 -26.26 15.08 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.563 -177.125 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 165.62 -170.32 40.41 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.268 -0.968 . . . . 0.0 112.579 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -140.94 146.69 37.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.85 0.357 . . . . 0.0 110.903 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.557 ' HB2' ' HB ' ' A' ' 95' ' ' THR . 4.0 mm? -78.42 106.35 10.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.58 178.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.4 m -93.89 98.52 11.11 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.723 175.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -76.05 67.16 2.44 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.749 -177.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 39.1 pt -116.68 2.23 7.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.021 0.439 . . . . 0.0 110.47 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -144.03 151.62 52.82 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.093 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -71.31 -179.72 3.83 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 123.078 2.518 . . . . 0.0 112.808 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 3.7 t-105 -70.05 101.11 1.74 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.528 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -173.08 -47.4 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.345 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -75.22 -1.66 24.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.14 -176.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 47.4 mt -59.55 -35.09 73.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.694 176.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.25 -41.91 94.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.187 -179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 30.8 m -80.07 -43.56 21.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.105 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.33 -48.6 74.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.833 -176.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.708 ' HA ' ' HE1' ' A' ' 120' ' ' MET . 26.0 mmt -68.56 -21.47 64.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.254 -176.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.461 ' O ' ' HD3' ' A' ' 121' ' ' ARG . 2.3 tmt_? -64.83 -32.85 74.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.892 0.377 . . . . 0.0 110.702 -177.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 38.3 t -73.96 -30.37 62.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.016 0.436 . . . . 0.0 110.739 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.518 HG21 ' HG2' ' A' ' 104' ' ' ARG . 60.5 mt -86.34 -50.72 13.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.06 -178.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.57 HG21 ' HE2' ' A' ' 68' ' ' PHE . 2.3 m -153.27 82.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.883 -177.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 . . . . . 0 C--N 1.327 -0.412 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 178.658 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.456 ' HG ' HG23 ' A' ' 56' ' ' VAL . 1.5 tm? . . . . . 0 CA--C 1.527 0.095 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.42 ' HA ' ' HE3' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -61.64 -39.04 89.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.413 176.833 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -60.85 -40.61 93.54 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.857 175.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -61.09 -42.75 99.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.453 HD23 ' CD1' ' A' ' 19' ' ' TRP . 60.9 mt -66.65 -39.25 88.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.213 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 11' ' ' TRP . 96.0 mt -64.72 -26.94 68.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.856 176.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 57.1 m -66.8 -48.89 67.57 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 175.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -172.64 112.08 0.25 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.765 175.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.8 153.67 5.95 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.261 176.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.453 ' CD1' HD23 ' A' ' 14' ' ' LEU . 15.4 m95 62.41 -164.67 0.25 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.9 0.381 . . . . 0.0 111.167 177.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -153.65 110.48 2.55 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.004 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -66.68 96.03 0.35 Allowed 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.455 2.104 . . . . 0.0 111.045 172.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.1 m -93.32 170.34 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.379 0.609 . . . . 0.0 112.027 -175.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -148.88 161.23 42.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.715 -1.13 . . . . 0.0 109.043 -175.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.55 -28.52 64.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.004 0.43 . . . . 0.0 110.594 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.4 m -64.09 -30.0 71.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.014 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.6 t -128.26 12.3 6.53 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 120.964 -0.295 . . . . 0.0 111.675 -174.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.0 p -65.95 -34.6 71.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.795 0.331 . . . . 0.0 110.748 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -59.95 -52.99 63.02 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.832 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -61.94 -42.28 98.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.048 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.579 ' O ' HG21 ' A' ' 34' ' ' VAL . 15.9 t90 -59.62 -53.82 53.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.611 -178.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.437 HD11 HD12 ' A' ' 39' ' ' ILE . 45.9 mm -60.39 -42.39 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.245 -178.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -62.09 -49.03 77.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.316 0.579 . . . . 0.0 111.604 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -67.58 -45.92 74.16 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.988 -174.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.579 HG21 ' O ' ' A' ' 30' ' ' TRP . 21.8 m -84.57 -36.55 11.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.816 -174.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.26 -53.02 4.74 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.203 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -116.99 122.39 44.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.012 0.434 . . . . 0.0 110.476 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.62 173.4 46.26 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.373 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.567 HG11 ' HA ' ' A' ' 97' ' ' VAL . 15.5 m -136.23 135.35 49.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.75 0.309 . . . . 0.0 111.21 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.437 HD12 HD11 ' A' ' 31' ' ' ILE . 2.6 mp -102.54 115.05 43.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 173.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 tt -85.97 120.7 27.65 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.441 ' O ' ' HA ' ' A' ' 93' ' ' PRO . 10.6 mp -86.28 105.87 16.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.001 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.9 t . . . . . 0 CA--C 1.533 0.324 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.417 175.202 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.456 HG23 ' HG ' ' A' ' 10' ' ' LEU . 49.4 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.136 0.493 . . . . 0.0 110.199 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.41 ' HE3' HD23 ' A' ' 61' ' ' LEU . 1.1 tmt? -63.9 -35.85 82.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.673 -177.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.5 mp -60.12 -31.54 48.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' A' ' 63' ' ' ARG . . . -63.98 -38.79 92.37 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.039 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -74.71 -36.23 62.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.072 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.41 HD23 ' HE3' ' A' ' 57' ' ' MET . 0.3 OUTLIER -59.26 -41.03 87.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.53 177.553 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.536 HD13 HG22 ' A' ' 72' ' ' VAL . 6.7 tt -56.51 -42.73 78.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.263 177.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 59' ' ' ALA . 48.1 mtp180 -69.89 -16.18 63.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.319 -175.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -95.53 2.4 54.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.189 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.68 88.48 13.81 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.671 0.272 . . . . 0.0 111.037 178.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -90.23 15.32 1.9 Allowed 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.823 2.349 . . . . 0.0 111.527 175.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -75.15 -37.93 61.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.584 -175.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.441 ' CE2' ' HB ' ' A' ' 124' ' ' VAL . 0.1 OUTLIER -159.13 177.51 11.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.1 0.476 . . . . 0.0 112.072 -178.301 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -110.5 118.67 36.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.326 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -142.83 150.24 39.66 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.248 0.547 . . . . 0.0 111.662 -174.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.564 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 1.9 mp0 -91.24 123.83 34.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.241 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.536 HG22 HD13 ' A' ' 62' ' ' LEU . 53.4 t -92.2 121.4 42.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.372 179.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.98 162.25 21.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.651 -177.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.3 p -145.12 141.2 22.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.516 -177.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.531 ' HB1' ' HB3' ' A' ' 79' ' ' GLN . . . -94.78 130.78 41.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.334 177.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -74.85 86.17 2.23 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -172.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.1 mt 62.57 -75.85 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.945 1.298 . . . . 0.0 112.662 170.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -77.24 -35.89 55.02 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.107 -173.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.531 ' HB3' ' HB1' ' A' ' 75' ' ' ALA . 9.0 tp-100 -58.71 -27.2 64.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.342 -175.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 95.3 p -63.03 -30.95 72.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.408 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.545 ' HA ' ' HB3' ' A' ' 91' ' ' ARG . 34.4 tt0 -60.81 -55.13 36.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -174.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.4 -37.75 85.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.497 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.426 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 70.5 mt -67.07 -51.96 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.753 0.311 . . . . 0.0 110.911 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.494 ' HA3' ' O ' ' A' ' 90' ' ' ARG . . . -66.73 -34.46 87.43 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.728 -177.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -66.53 -31.86 72.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.255 0.55 . . . . 0.0 110.28 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.426 ' HB3' ' O ' ' A' ' 83' ' ' ILE . 8.7 tpm_? -53.51 -43.87 68.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.712 175.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.405 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 5.9 m-85 -83.81 -79.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.013 0.435 . . . . 0.0 109.861 178.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 87' ' ' PHE . 9.1 t30 173.75 20.27 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.451 -175.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.1 t -110.29 -20.39 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.153 0.502 . . . . 0.0 110.151 -174.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.494 ' O ' ' HA3' ' A' ' 84' ' ' GLY . 29.8 ttt180 59.22 -147.37 0.49 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.65 -176.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.545 ' HB3' ' HA ' ' A' ' 81' ' ' GLU . 14.8 ptm180 -95.15 34.82 1.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.095 -0.378 . . . . 0.0 111.568 -177.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 80.4 m-85 -89.96 140.84 27.69 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 175.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 35.8 Cg_exo -60.91 118.05 4.88 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.801 2.334 . . . . 0.0 112.828 -177.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -162.99 159.74 23.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.053 178.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.0 m -126.49 116.12 20.61 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.466 ' HB3' HD12 ' A' ' 103' ' ' LEU . 6.1 mp -92.18 137.1 32.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.979 0.419 . . . . 0.0 110.788 -177.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.567 ' HA ' HG11 ' A' ' 38' ' ' VAL . 60.7 t -96.25 108.35 21.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.783 -176.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -103.06 102.93 12.97 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.308 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.457 ' O ' ' HB3' ' A' ' 100' ' ' ASP . 1.2 p -129.73 142.57 50.68 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.457 ' HB3' ' O ' ' A' ' 99' ' ' THR . 33.8 t70 73.39 8.82 5.16 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.989 0.899 . . . . 0.0 109.551 -175.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.22 2.05 90.3 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.505 -172.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -113.34 137.31 51.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.801 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.466 HD12 ' HB3' ' A' ' 96' ' ' LEU . 41.4 tp -67.81 107.67 2.7 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 174.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -96.24 -30.74 13.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.715 -172.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -173.96 -174.47 40.87 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.182 -1.009 . . . . 0.0 112.463 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.428 ' HA ' ' HA ' ' A' ' 96' ' ' LEU . . . -150.69 137.37 18.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.692 0.282 . . . . 0.0 110.717 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.619 HD11 HD22 ' A' ' 116' ' ' LEU . 4.2 mm? -104.64 143.5 33.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.952 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.1 t -141.0 -61.68 0.48 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 175.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -92.91 136.68 13.28 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.727 175.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.436 ' O ' ' HB2' ' A' ' 111' ' ' HIS . 50.8 mm -67.97 -45.79 83.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.458 0.129 . . . . 0.0 111.121 -177.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.746 ' HB3' ' HD2' ' A' ' 112' ' ' PRO . 62.7 m80 69.65 173.33 0.09 OUTLIER Pre-proline 0 N--CA 1.47 0.565 0 O-C-N 123.47 0.481 . . . . 0.0 111.519 177.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.746 ' HD2' ' HB3' ' A' ' 111' ' ' HIS . 56.8 Cg_endo -71.86 10.75 0.79 Allowed 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 122.806 2.337 . . . . 0.0 113.221 176.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 78.82 -14.83 0.82 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.641 0.776 . . . . 0.0 111.899 173.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.77 -34.68 73.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.425 0.631 . . . . 0.0 110.767 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.46 ' O ' ' HG ' ' A' ' 119' ' ' LEU . 12.0 mp0 -74.31 -39.74 62.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.952 178.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.619 HD22 HD11 ' A' ' 107' ' ' LEU . 43.6 mt -61.9 -37.1 83.35 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.848 177.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.94 -43.13 99.1 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 177.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 42.0 m -66.18 -38.1 87.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.915 177.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 115' ' ' GLU . 95.5 mt -69.26 -49.63 54.45 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -67.88 -20.26 65.11 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.964 0.411 . . . . 0.0 110.933 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 -63.02 -67.5 0.42 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.382 178.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.7 m -78.39 -45.42 22.43 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -176.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 65.4 mt -78.5 -50.46 19.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 -162.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.441 ' HB ' ' CE2' ' A' ' 68' ' ' PHE . 27.0 m -86.18 29.45 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -168.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 30.7 t70 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.127 179.932 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 62.2 tp . . . . . 0 CA--C 1.529 0.15 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.518 ' CZ2' ' HA ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -59.37 -42.0 90.6 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.277 0.56 . . . . 0.0 110.577 -178.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.02 -43.29 88.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.533 179.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.28 -46.29 84.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.467 -177.061 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.415 HD11 ' N ' ' A' ' 15' ' ' LEU . 4.5 pp -66.73 -37.98 85.74 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.113 -176.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.511 HD22 ' HZ3' ' A' ' 11' ' ' TRP . 30.7 mt -62.96 -30.04 71.27 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.06 0.457 . . . . 0.0 111.185 177.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.6 m -72.92 -26.3 61.36 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.069 -178.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -97.85 -40.6 8.44 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.967 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.69 -120.97 0.86 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.362 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.1 m95 66.01 -172.78 0.19 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.159 0.504 . . . . 0.0 111.867 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -160.4 119.88 1.6 Allowed Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.909 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.612 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 18.5 Cg_exo -69.14 114.75 3.71 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.382 2.055 . . . . 0.0 110.968 171.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.45 HG11 ' HB2' ' A' ' 73' ' ' ALA . 3.6 m -93.77 159.08 2.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.337 0.589 . . . . 0.0 111.625 -179.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.42 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 50.1 mt-10 -137.43 157.57 46.3 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.434 -177.216 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.41 -26.72 61.09 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.141 0.496 . . . . 0.0 110.561 -178.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.1 m -64.67 -27.8 69.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.08 -176.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.3 t -134.75 11.94 3.69 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -174.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.42 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 8.3 p -65.05 -37.21 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.943 0.402 . . . . 0.0 111.201 -177.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.01 -47.61 76.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.517 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -72.89 -35.6 67.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.157 -174.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.464 ' O ' HG22 ' A' ' 34' ' ' VAL . 41.3 t90 -61.62 -47.89 83.39 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.454 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.0 mm -62.99 -38.74 82.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.035 0.445 . . . . 0.0 110.555 178.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -59.69 -36.03 75.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.83 177.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.28 -46.11 16.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.642 -176.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 30' ' ' TRP . 28.8 m -77.01 -43.28 32.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -175.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.96 -46.29 2.27 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.976 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -124.73 139.99 53.35 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.765 0.317 . . . . 0.0 110.452 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.46 174.18 33.03 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.026 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.501 HG11 ' HA ' ' A' ' 97' ' ' VAL . 14.8 m -137.32 139.68 43.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.935 0.397 . . . . 0.0 111.311 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.443 HG22 HG22 ' A' ' 22' ' ' VAL . 2.2 mp -105.19 117.23 50.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 174.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.403 ' HB3' HG23 ' A' ' 74' ' ' VAL . 5.0 tt -94.27 114.99 27.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.021 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.413 HD11 HG23 ' A' ' 39' ' ' ILE . 10.1 mp -81.51 129.82 34.81 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 175.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.579 ' OG ' ' HA ' ' A' ' 77' ' ' LEU . 65.6 p . . . . . 0 C--N 1.328 -0.366 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -172.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 121.367 0.603 . . . . 0.0 110.071 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.6 ttt -55.94 -36.48 67.8 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.736 -177.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.0 mp -65.55 -43.33 94.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.974 0.416 . . . . 0.0 110.643 -177.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.55 -32.23 73.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.045 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -74.06 -44.15 55.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.323 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -36.48 83.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.73 -178.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.521 HD23 HG21 ' A' ' 72' ' ' VAL . 56.2 tp -57.64 -36.37 71.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.627 -178.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -57.84 -34.99 70.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.604 -173.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.573 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 15.3 pt-20 -111.24 24.66 12.6 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.821 -177.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -84.66 102.54 2.3 Favored Pre-proline 0 CA--C 1.529 0.142 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 174.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.573 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 92.0 Cg_endo -87.23 4.65 6.02 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.641 2.227 . . . . 0.0 113.29 -171.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.15 -57.3 3.8 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.864 0.364 . . . . 0.0 110.444 -176.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.414 ' N ' ' CD1' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -159.65 155.13 25.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.575 -176.271 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -94.14 72.55 3.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.914 178.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.461 ' CZ3' HG12 ' A' ' 97' ' ' VAL . 0.2 OUTLIER -85.09 169.28 14.07 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.188 0.518 . . . . 0.0 111.997 -176.297 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -85.95 128.78 34.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.902 -175.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.521 HG21 HD23 ' A' ' 62' ' ' LEU . 62.4 t -106.95 122.91 61.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 177.177 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.45 ' HB2' HG11 ' A' ' 22' ' ' VAL . . . -133.76 158.39 43.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.856 -178.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.612 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 12.0 p -138.31 148.16 25.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -177.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.01 151.22 22.41 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 177.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.518 ' HA ' ' CZ2' ' A' ' 11' ' ' TRP . 4.7 m-20 -54.54 -71.71 0.07 Allowed 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.389 0.431 . . . . 0.0 110.953 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.579 ' HA ' ' OG ' ' A' ' 42' ' ' SER . 2.5 pt? -168.22 -42.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.687 176.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -73.92 -48.72 28.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.667 -176.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.424 ' O ' HG13 ' A' ' 83' ' ' ILE . 0.8 OUTLIER -55.63 -28.03 53.02 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.347 -174.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.2 m -50.82 -38.6 49.6 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -74.2 -41.97 60.56 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.167 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.7 -34.53 78.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.307 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.519 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 82.1 mt -69.16 -44.48 80.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.845 0.355 . . . . 0.0 110.327 177.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.59 -31.41 80.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.337 176.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -66.99 -39.13 87.08 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 123.338 0.655 . . . . 0.0 110.774 176.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.519 ' HB3' ' O ' ' A' ' 83' ' ' ILE . 14.8 tpt180 -48.72 -44.25 38.1 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.827 176.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.586 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 6.0 m-85 -85.6 -79.52 0.24 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.586 ' HB2' ' O ' ' A' ' 87' ' ' PHE . 63.3 t30 153.87 35.13 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.72 0 O-C-N 124.822 1.326 . . . . 0.0 108.755 -177.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 42.9 t -81.66 99.42 4.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.064 0.459 . . . . 0.0 110.609 -175.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -96.32 -12.36 24.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.89 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -122.41 99.1 6.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.66 -0.246 . . . . 0.0 111.541 -174.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 64.98 98.83 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.366 0 O-C-N 124.087 0.867 . . . . 0.0 112.846 173.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -69.01 150.21 72.51 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.486 2.124 . . . . 0.0 110.628 171.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -159.77 -159.32 0.72 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.735 0.302 . . . . 0.0 110.779 -170.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.437 HG22 ' HB ' ' A' ' 38' ' ' VAL . 7.7 m -98.4 117.65 33.29 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 176.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.439 HD23 ' N ' ' A' ' 96' ' ' LEU . 3.0 mm? -89.65 134.6 34.07 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.997 0.427 . . . . 0.0 110.81 -177.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.501 ' HA ' HG11 ' A' ' 38' ' ' VAL . 86.4 t -90.32 114.05 27.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.627 -177.123 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.441 ' CZ ' HD12 ' A' ' 103' ' ' LEU . 92.5 m-85 -112.94 124.61 53.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.368 0.604 . . . . 0.0 110.255 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.3 m -146.77 147.24 30.71 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.5 t0 68.23 13.14 9.0 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.476 0.655 . . . . 0.0 110.126 -178.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.06 6.13 89.29 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.476 -174.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -121.12 157.05 30.99 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.876 0.37 . . . . 0.0 111.17 -177.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.441 HD12 ' CZ ' ' A' ' 98' ' ' PHE . 54.2 tp -80.91 116.68 21.01 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 178.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.569 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 0.8 OUTLIER -91.0 -50.06 6.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.998 -176.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -170.42 -146.13 5.02 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.817 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -146.6 165.02 30.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.489 0.185 . . . . 0.0 110.55 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.64 88.99 7.06 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.8 p -106.74 13.47 27.96 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.82 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -79.56 63.36 3.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.362 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 17.7 tt -84.72 -14.81 11.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.694 0.759 . . . . 0.0 110.181 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 11.5 t-160 -94.11 123.52 58.86 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 111' ' ' HIS . 58.2 Cg_exo -52.78 89.85 0.03 OUTLIER 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 123.602 2.868 . . . . 0.0 114.743 -172.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.464 ' HA ' HD11 ' A' ' 116' ' ' LEU . 0.1 OUTLIER 61.1 -161.37 0.29 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.29 -0.868 . . . . 0.0 112.795 172.718 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 72.12 -63.85 0.41 Allowed 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 123.622 0.769 . . . . 0.0 111.084 -174.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -79.75 -19.3 49.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.905 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.464 HD11 ' HA ' ' A' ' 113' ' ' TRP . 19.0 mt -59.12 -33.28 70.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.668 175.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 75.6 mt -65.32 -39.43 92.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.015 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.0 m -68.55 -45.03 73.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.65 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 98.0 mt -62.13 -49.94 73.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.004 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 71.4 mtm -62.29 -37.18 84.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.318 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -56.8 -50.75 71.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.708 0.29 . . . . 0.0 111.536 -178.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.0 m -76.69 -34.64 58.19 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.6 HG23 HG12 ' A' ' 124' ' ' VAL . 35.9 mm -83.78 -49.24 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -172.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.6 HG12 HG23 ' A' ' 123' ' ' ILE . 4.6 m -129.57 76.91 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.505 0.669 . . . . 0.0 111.083 -174.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 24.2 t70 . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.744 177.921 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.776 0.322 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.598 ' CZ3' ' HG3' ' A' ' 21' ' ' PRO . 0.5 OUTLIER -62.97 -36.11 82.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.429 179.429 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -61.49 -37.83 85.07 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.346 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.403 ' O ' ' HB ' ' A' ' 16' ' ' THR . 26.2 mmt180 -73.38 -28.39 62.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.356 178.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.477 ' HB3' ' HB2' ' A' ' 19' ' ' TRP . 83.4 mt -61.46 -48.37 81.43 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 175.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.17 -30.84 71.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.797 175.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 13' ' ' ARG . 67.3 m -58.99 -49.76 76.68 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.409 177.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -69.89 -44.94 68.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.821 0.343 . . . . 0.0 110.565 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.79 38.14 0.14 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.432 -0.89 . . . . 0.0 112.63 178.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.477 ' HB2' ' HB3' ' A' ' 14' ' ' LEU . 12.0 m95 -93.07 124.62 37.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.908 0.385 . . . . 0.0 110.239 179.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -105.08 119.66 52.42 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.82 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.598 ' HG3' ' CZ3' ' A' ' 11' ' ' TRP . 19.2 Cg_exo -68.25 107.59 1.6 Allowed 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.538 2.159 . . . . 0.0 111.386 175.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.478 HG21 HG13 ' A' ' 39' ' ' ILE . 15.3 m -101.1 175.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.586 -176.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.502 ' HB2' HG21 ' A' ' 26' ' ' THR . 42.3 mt-10 -145.52 161.18 40.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.574 -174.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.12 -18.35 60.81 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.095 0.474 . . . . 0.0 110.785 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.6 p -81.93 -18.32 44.03 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.579 -178.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.502 HG21 ' HB2' ' A' ' 23' ' ' GLU . 9.0 t -131.08 12.94 5.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.802 0.334 . . . . 0.0 111.246 -176.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.8 -38.88 83.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.044 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -64.4 -49.83 70.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.142 0.496 . . . . 0.0 110.497 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -65.6 -42.12 92.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.619 -176.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.471 ' O ' HG23 ' A' ' 34' ' ' VAL . 53.9 t90 -60.38 -47.37 86.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.4 -177.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.477 HD13 ' CD1' ' A' ' 39' ' ' ILE . 33.9 mm -62.02 -40.64 88.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.554 178.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.435 ' HD2' ' O ' ' A' ' 32' ' ' LYS . 4.0 tmmm? -58.62 -42.52 88.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.274 178.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -74.04 -47.0 39.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.523 -175.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 30' ' ' TRP . 33.3 m -78.45 -37.11 21.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.0 -0.546 . . . . 0.0 112.006 -174.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.51 -54.51 4.93 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.501 -0.64 . . . . 0.0 111.501 -177.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -124.57 125.79 44.74 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 120.797 0.332 . . . . 0.0 110.292 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.536 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . -178.7 174.22 46.42 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.028 -0.606 . . . . 0.0 111.938 -179.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.53 HG11 ' HA ' ' A' ' 97' ' ' VAL . 13.3 m -133.68 127.21 52.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 O-C-N 122.812 -0.228 . . . . 0.0 111.088 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.635 HG21 HG21 ' A' ' 83' ' ' ILE . 1.9 mp -91.51 116.42 32.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 174.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.475 HD13 HD11 ' A' ' 58' ' ' ILE . 3.8 tt -94.7 130.05 41.35 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.699 178.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.436 ' HB2' ' H ' ' A' ' 94' ' ' ALA . 7.7 mp -91.2 108.76 20.1 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.551 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.472 ' HA ' ' O ' ' A' ' 76' ' ' ASP . 15.5 m . . . . . 0 CA--C 1.531 0.233 0 C-N-CA 123.31 0.644 . . . . 0.0 112.49 177.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.5 m . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.723 0.297 . . . . 0.0 111.75 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 91.7 mtp -55.52 -49.13 73.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.355 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.696 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 4.4 mp -65.83 -45.94 90.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -179.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.29 -38.39 76.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.707 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.461 ' OE2' ' HD2' ' A' ' 63' ' ' ARG . 7.3 tp10 -74.14 -39.62 63.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.519 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -60.84 -41.2 95.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.403 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 76.3 mt -51.36 -29.65 16.1 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.518 -178.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.461 ' HD2' ' OE2' ' A' ' 60' ' ' GLU . 72.7 mtt180 -65.62 -34.01 77.22 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -173.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -120.53 -1.06 10.17 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -173.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -59.1 107.61 1.04 Allowed Pre-proline 0 N--CA 1.467 0.417 0 CA-C-N 118.195 0.452 . . . . 0.0 110.904 -175.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -89.88 -5.28 5.19 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 123.017 2.478 . . . . 0.0 112.987 -173.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -88.92 -37.7 15.07 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.534 -175.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -136.2 136.42 39.94 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.806 -173.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -103.19 75.41 1.36 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 165.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.536 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . 0.1 OUTLIER -101.46 164.73 11.62 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.853 -1.067 . . . . 0.0 112.115 -172.13 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.429 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 1.7 mp0 -91.11 135.38 33.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.507 176.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.503 HG23 HD11 ' A' ' 62' ' ' LEU . 9.6 t -90.08 129.88 40.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.211 -176.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.468 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . . . -125.96 140.91 52.24 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.913 0.387 . . . . 0.0 110.55 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.548 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 5.5 p -145.39 138.99 21.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.884 179.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.713 ' HB3' ' HG ' ' A' ' 80' ' ' SER . . . -107.49 154.29 21.59 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.509 ' CG ' ' H ' ' A' ' 77' ' ' LEU . 20.9 p-10 -64.99 -70.78 0.21 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -172.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.509 ' H ' ' CG ' ' A' ' 76' ' ' ASP . 69.0 mt -159.78 -56.9 0.06 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -176.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -71.29 -40.95 70.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.442 -177.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.498 ' O ' HG13 ' A' ' 83' ' ' ILE . 88.4 mm-40 -67.13 -35.79 80.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.42 178.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.713 ' HG ' ' HB3' ' A' ' 75' ' ' ALA . 2.6 m -57.7 -46.36 84.44 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.673 176.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -59.12 -43.05 91.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.491 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.48 -38.89 68.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.164 -177.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.635 HG21 HG21 ' A' ' 39' ' ' ILE . 80.9 mt -61.66 -47.35 93.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.596 0.236 . . . . 0.0 110.958 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -66.35 -31.68 79.68 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.429 -0.891 . . . . 0.0 112.003 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.537 ' HB2' ' HD2' ' A' ' 90' ' ' ARG . 18.9 t70 -68.26 -32.33 72.43 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 122.817 0.447 . . . . 0.0 110.69 -178.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -44.51 -45.5 9.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.408 177.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.436 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -101.52 -73.53 0.65 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.678 178.247 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 87' ' ' PHE . 15.8 t-20 170.18 25.12 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.27 0.557 . . . . 0.0 110.001 -173.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.0 t -116.6 28.09 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 122.121 0.962 . . . . 0.0 109.041 -175.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.537 ' HD2' ' HB2' ' A' ' 85' ' ' ASP . 53.7 ttt180 -77.3 76.45 3.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.281 177.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.421 ' HD2' ' HA ' ' A' ' 91' ' ' ARG . 14.7 tpt180 -149.03 78.16 1.38 Allowed 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.225 -175.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.47 ' HB3' ' HD2' ' A' ' 93' ' ' PRO . 86.8 m-85 67.53 172.69 0.09 OUTLIER Pre-proline 0 CA--C 1.539 0.529 0 O-C-N 123.701 0.626 . . . . 0.0 112.006 174.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.47 ' HD2' ' HB3' ' A' ' 92' ' ' PHE . 48.4 Cg_exo -59.63 131.48 40.4 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.553 2.168 . . . . 0.0 112.969 177.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.436 ' H ' ' HB2' ' A' ' 41' ' ' LEU . . . -159.25 -176.56 5.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.426 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.6 m -131.04 121.99 25.99 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.427 ' HB2' ' HE1' ' A' ' 98' ' ' PHE . 62.7 mt -94.23 135.33 35.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.518 -178.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.53 ' HA ' HG11 ' A' ' 38' ' ' VAL . 48.1 t -101.88 117.22 46.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.997 -175.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.517 ' CE2' HD11 ' A' ' 103' ' ' LEU . 68.7 m-85 -119.04 115.38 24.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.354 179.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 100' ' ' ASP . 49.8 p -129.46 150.15 50.93 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 175.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 99' ' ' THR . 10.4 m-20 68.42 12.02 8.57 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.315 0.384 . . . . 0.0 111.26 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 77.86 13.42 83.43 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.034 -0.603 . . . . 0.0 111.825 -172.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -123.82 144.51 49.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.738 0.304 . . . . 0.0 110.877 -177.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.517 HD11 ' CE2' ' A' ' 98' ' ' PHE . 54.1 tp -78.34 122.3 25.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.132 0.491 . . . . 0.0 110.403 178.076 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -92.88 -42.17 9.65 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.624 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 162.17 -148.92 16.66 Favored Glycine 0 N--CA 1.444 -0.824 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 -178.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -125.82 154.13 43.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.737 0.303 . . . . 0.0 110.778 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.94 92.82 9.15 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 178.068 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 24.7 m -139.53 97.5 3.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 -176.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -106.83 151.07 16.88 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 175.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 34.6 pt -94.99 -10.5 9.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.577 0.703 . . . . 0.0 110.084 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.886 ' HB3' ' HG2' ' A' ' 115' ' ' GLU . 46.7 t60 -125.24 130.66 24.08 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 175.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -41.76 -49.44 5.43 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.618 2.878 . . . . 0.0 114.316 -173.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.539 ' HD1' ' H ' ' A' ' 114' ' ' ALA . 0.9 OUTLIER -141.3 -164.66 1.81 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 177.169 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.539 ' H ' ' HD1' ' A' ' 113' ' ' TRP . . . 71.23 -66.99 0.27 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.63 0.772 . . . . 0.0 111.335 -177.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.886 ' HG2' ' HB3' ' A' ' 111' ' ' HIS . 0.0 OUTLIER -66.58 -22.04 66.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.704 -0.225 . . . . 0.0 110.95 -178.236 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.3 mt -50.19 -34.1 21.53 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.513 176.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.532 ' O ' ' HG3' ' A' ' 121' ' ' ARG . 91.0 mt -70.25 -43.33 70.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.867 0.365 . . . . 0.0 110.215 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.513 ' O ' ' HB2' ' A' ' 121' ' ' ARG . 19.1 m -67.7 -42.95 81.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.728 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.18 -48.37 80.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.52 175.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 46.9 tpp -53.92 -34.96 61.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.252 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.532 ' HG3' ' O ' ' A' ' 117' ' ' LEU . 46.7 mtt180 -53.65 -52.44 59.95 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.113 0.482 . . . . 0.0 111.399 177.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.8 t -66.89 -36.51 82.46 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.169 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 75.3 mt -67.03 -50.28 65.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.858 0.361 . . . . 0.0 111.266 -177.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.0 m -134.44 75.24 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.503 0.668 . . . . 0.0 110.271 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.4 t70 . . . . . 0 N--CA 1.465 0.296 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.159 -178.509 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.9 mt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 121.007 0.432 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 22.4 t-105 -70.98 -32.86 69.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.115 -177.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.07 -38.4 82.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.778 176.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -65.01 -29.26 70.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.648 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 77.5 mt -71.56 -45.78 61.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.196 178.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.32 -28.86 70.3 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 176.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.484 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 58.4 m -62.85 -57.15 11.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.788 175.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 16' ' ' THR . 19.1 mtt180 -176.2 119.24 0.14 Allowed 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.576 175.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 156.08 -97.92 0.17 Allowed Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.903 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.57 ' CE3' HG12 ' A' ' 74' ' ' VAL . 46.8 m0 -90.21 129.34 36.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.656 0.265 . . . . 0.0 110.828 178.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -90.73 116.19 65.86 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 173.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 42.7 Cg_endo -68.93 122.69 9.6 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.6 2.2 . . . . 0.0 112.065 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.7 m -117.33 176.62 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.119 0.485 . . . . 0.0 111.444 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -151.46 170.73 18.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.744 -174.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.96 -22.85 61.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.221 0.534 . . . . 0.0 109.754 173.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 m -63.04 -34.53 77.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.139 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.1 t -122.37 3.25 9.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.837 -174.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.8 p -62.19 -40.2 86.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-O 120.833 0.349 . . . . 0.0 110.922 -176.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -61.4 -53.46 56.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.091 0.472 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.68 -29.69 68.2 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.798 -176.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.632 ' O ' HG21 ' A' ' 34' ' ' VAL . 36.7 t90 -62.25 -56.01 22.76 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.3 -38.41 77.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 CA-C-O 121.036 0.446 . . . . 0.0 110.263 177.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -60.96 -44.87 96.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.363 178.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -81.0 -46.94 14.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.293 -171.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.632 HG21 ' O ' ' A' ' 30' ' ' TRP . 21.8 m -94.88 -35.02 5.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -175.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.07 -52.33 2.86 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.976 177.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.435 ' OD1' ' HA ' ' A' ' 99' ' ' THR . 14.5 m-20 -115.47 153.91 30.26 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.802 0.334 . . . . 0.0 111.109 -174.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.513 ' HA3' ' HH2' ' A' ' 30' ' ' TRP . . . 148.17 -167.09 28.98 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.828 177.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.481 HG13 ' HA ' ' A' ' 97' ' ' VAL . 15.8 m -140.27 146.7 24.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 117.04 0.42 . . . . 0.0 111.284 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.532 HG23 HG23 ' A' ' 83' ' ' ILE . 2.4 mp -118.16 124.6 73.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 173.29 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tt -96.62 118.02 32.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.715 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.482 ' HA ' ' HB2' ' A' ' 80' ' ' SER . 7.5 mp -86.03 129.08 34.95 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 178.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.624 ' HB3' ' HB3' ' A' ' 93' ' ' PRO . 46.6 t . . . . . 0 N--CA 1.463 0.186 0 O-C-N 123.917 0.761 . . . . 0.0 110.48 -175.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.234 0.257 0 CA-C-O 121.337 0.589 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.421 ' HB3' HD13 ' A' ' 58' ' ' ILE . 37.1 ttm 176.59 -59.6 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.756 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.421 HD13 ' HB3' ' A' ' 57' ' ' MET . 3.7 mp -65.96 -33.27 62.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.265 -178.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.463 ' O ' ' HG2' ' A' ' 63' ' ' ARG . . . -61.33 -51.23 69.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.623 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.567 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 2.2 mp0 -60.26 -43.25 96.33 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.694 178.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.9 mt -52.24 -51.24 59.49 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.26 0.553 . . . . 0.0 111.172 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 45.5 tp -61.98 -34.73 76.69 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.61 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 59' ' ' ALA . 24.1 mmt180 -75.97 -36.95 59.08 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -174.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.567 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 13.2 pt-20 -111.85 24.93 12.12 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -175.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -79.0 108.1 7.52 Favored Pre-proline 0 C--N 1.33 -0.243 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 177.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.447 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 90.3 Cg_endo -94.95 15.38 1.13 Allowed 'Trans proline' 0 N--CA 1.455 -0.765 0 C-N-CA 123.033 2.488 . . . . 0.0 113.306 -174.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.24 -66.49 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.649 -176.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.443 ' HE2' HG11 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -144.94 177.83 8.47 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -175.209 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -109.12 116.25 31.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.267 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -140.04 179.18 6.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.936 0.398 . . . . 0.0 111.611 -175.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -91.92 140.43 29.67 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.872 -174.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.9 p -110.87 130.97 63.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.046 176.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -143.41 143.28 31.56 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.091 0.472 . . . . 0.0 111.374 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.57 HG12 ' CE3' ' A' ' 19' ' ' TRP . 25.3 m -129.24 144.69 37.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 177.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.514 ' HB1' ' HB3' ' A' ' 80' ' ' SER . . . -103.76 156.51 17.76 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.851 -173.157 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.553 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 10.1 t70 -56.94 139.18 52.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.829 174.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.7 tt -52.56 -43.09 65.0 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.273 0.358 . . . . 0.0 110.995 -176.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -77.86 -53.37 7.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.974 0.416 . . . . 0.0 110.786 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.553 ' HB2' ' HB3' ' A' ' 76' ' ' ASP . 14.1 mm100 -62.63 -24.04 67.39 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -172.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.514 ' HB3' ' HB1' ' A' ' 75' ' ' ALA . 22.6 p -68.87 -20.73 64.27 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -176.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -65.04 -43.32 92.75 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.191 0.52 . . . . 0.0 109.883 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.2 -28.31 69.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.186 176.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.571 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 52.5 mt -65.41 -47.71 85.85 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.173 0 CA-C-O 120.904 0.383 . . . . 0.0 110.29 177.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.93 -40.51 99.37 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.387 -0.911 . . . . 0.0 111.594 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -65.09 -35.81 82.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.921 0.391 . . . . 0.0 110.853 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.571 ' HB3' ' O ' ' A' ' 83' ' ' ILE . 8.9 tpt180 -46.34 -48.23 18.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.279 175.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.483 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 9.1 m-85 -82.99 -77.71 0.23 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 177.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.483 ' HB2' ' O ' ' A' ' 87' ' ' PHE . 6.2 t30 171.16 24.96 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.218 -177.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 46.8 t -117.71 111.24 33.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 121.861 -0.524 . . . . 0.0 110.887 -172.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -137.92 86.07 2.15 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 175.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 -165.77 82.09 0.31 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.248 -176.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 69.63 163.9 0.14 Allowed Pre-proline 0 N--CA 1.469 0.513 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.171 175.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.624 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 22.8 Cg_exo -66.53 140.0 55.64 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.865 2.377 . . . . 0.0 112.287 177.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -157.19 161.31 39.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.421 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.8 m -109.04 120.15 41.68 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 177.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 82.4 mt -92.75 131.79 37.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.724 -177.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.481 ' HA ' HG13 ' A' ' 38' ' ' VAL . 58.6 t -97.53 114.29 34.29 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.805 -178.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -108.96 120.39 42.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.152 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.47 ' OG1' ' HG3' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -146.26 143.63 29.32 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.808 177.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.0 t70 72.04 10.84 6.1 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.723 0.773 . . . . 0.0 109.903 -178.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.08 4.17 90.33 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.544 -174.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -115.13 150.46 35.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.942 0.401 . . . . 0.0 111.08 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 45.8 tp -79.6 109.25 13.81 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 173.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.47 ' HG3' ' OG1' ' A' ' 99' ' ' THR . 22.0 mmm180 -94.56 -47.24 6.62 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.579 -169.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -155.11 179.47 31.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.259 -0.972 . . . . 0.0 112.241 -177.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -147.68 134.13 19.7 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.746 0.308 . . . . 0.0 110.738 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.61 103.29 2.48 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 177.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.7 m -107.97 118.25 36.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.678 -178.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 137.0 168.39 11.37 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.035 178.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 8.4 tp -77.08 -34.0 21.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-O 121.315 0.578 . . . . 0.0 110.503 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -165.05 88.38 1.01 Allowed Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 175.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.47 ' HB2' ' H ' ' A' ' 113' ' ' TRP . 6.8 Cg_exo -72.85 -94.86 0.01 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.658 2.239 . . . . 0.0 113.66 -172.145 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.767 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.2 OUTLIER 57.4 -163.2 0.19 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.887 -169.858 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 64.31 -73.09 0.05 Allowed 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 122.856 0.463 . . . . 0.0 111.635 -177.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.472 ' O ' HD22 ' A' ' 119' ' ' LEU . 12.4 pt-20 -75.42 -6.79 51.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.763 0.316 . . . . 0.0 110.343 178.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.767 HD12 ' HA ' ' A' ' 113' ' ' TRP . 2.1 mt -55.0 -33.62 62.76 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.231 176.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.92 -33.27 74.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.023 0.44 . . . . 0.0 110.454 178.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.9 m -74.44 -45.26 47.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.1 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.472 HD22 ' O ' ' A' ' 115' ' ' GLU . 3.5 mm? -60.07 -49.76 76.4 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.433 179.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 45.8 ttm -54.37 -45.76 72.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -178.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 -61.06 -54.7 41.48 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.238 178.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.9 m -58.81 -40.79 85.14 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.952 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.559 HG22 HG12 ' A' ' 124' ' ' VAL . 68.7 mt -74.01 -49.68 32.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.471 -178.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.559 HG12 HG22 ' A' ' 123' ' ' ILE . 3.1 m -140.58 86.14 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-O 121.727 0.775 . . . . 0.0 110.971 -175.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 25.4 t70 . . . . . 0 C--N 1.319 -0.753 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.148 173.042 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.258 0 CA-C-O 120.642 0.258 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.482 ' CZ2' ' HG ' ' A' ' 15' ' ' LEU . 12.1 t-105 -58.27 -43.29 87.89 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.141 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -54.83 -38.55 67.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.487 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.47 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 2.2 mpt_? -74.74 -36.32 62.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.34 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 70.8 mt -68.26 -31.59 71.17 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.882 0.373 . . . . 0.0 110.928 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.482 ' HG ' ' CZ2' ' A' ' 11' ' ' TRP . 1.4 mt -58.26 -29.45 65.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.648 175.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.2 m -76.97 -50.3 13.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.836 175.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -159.93 109.5 1.81 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.446 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 141.44 113.77 1.03 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.039 -0.6 . . . . 0.0 112.045 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 45.0 m0 66.79 -176.52 0.2 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.949 0.404 . . . . 0.0 110.323 -178.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.424 ' O ' ' HB1' ' A' ' 73' ' ' ALA . 64.2 tt0 -125.88 125.77 24.85 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.469 -177.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.505 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 31.8 Cg_endo -67.58 105.35 1.07 Allowed 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.4 2.067 . . . . 0.0 111.615 174.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.516 HG22 HG13 ' A' ' 39' ' ' ILE . 9.8 m -81.17 151.41 4.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.813 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.44 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 37.7 mt-10 -131.11 160.44 34.69 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.843 -174.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.56 -27.58 60.57 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.023 0.439 . . . . 0.0 110.279 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.5 m -61.44 -28.76 69.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.672 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.9 t -136.07 18.64 3.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.833 0.349 . . . . 0.0 111.313 -174.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.44 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 8.8 p -63.7 -41.79 93.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -173.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -77.19 -35.94 55.33 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.902 -177.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.608 ' O ' ' HB2' ' A' ' 33' ' ' ARG . 18.2 t70 -61.86 -47.81 83.37 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 176.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.51 ' O ' HG23 ' A' ' 34' ' ' VAL . 61.2 t90 -54.75 -43.08 72.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.487 -178.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.539 HD11 ' CD1' ' A' ' 39' ' ' ILE . 33.9 mm -66.83 -55.02 19.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.965 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.507 ' HE3' ' HA ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -67.94 -20.26 65.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.191 0.52 . . . . 0.0 111.299 -176.806 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.608 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 23.3 ttt180 -70.19 -44.83 67.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.59 -178.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 30' ' ' TRP . 15.8 m -96.3 -32.58 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.692 -178.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.46 -53.48 0.73 Allowed Glycine 0 N--CA 1.453 -0.233 0 N-CA-C 111.671 -0.572 . . . . 0.0 111.671 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.406 ' OD1' ' HA ' ' A' ' 70' ' ' TRP . 1.4 p30 -119.95 154.51 34.37 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.686 0.279 . . . . 0.0 110.352 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.37 -166.07 37.6 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.606 -0.807 . . . . 0.0 111.761 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 96' ' ' LEU . 2.1 p -158.01 138.1 4.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.365 0.602 . . . . 0.0 111.577 -177.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.539 ' CD1' HD11 ' A' ' 31' ' ' ILE . 2.1 mp -112.21 119.66 60.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.257 174.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 tt -94.67 114.72 26.7 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 mp -82.9 125.34 31.25 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 178.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.9 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.287 -175.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.0 m . . . . . 0 CA--C 1.522 -0.131 0 CA-C-O 121.382 0.61 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.9 mtt -58.39 -33.76 69.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.391 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.3 mp -61.71 -35.46 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -177.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.17 -38.66 89.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 111.239 -177.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -75.41 -30.11 59.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.015 0.436 . . . . 0.0 110.195 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.64 -37.05 65.19 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.668 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.846 HD22 HG23 ' A' ' 72' ' ' VAL . 11.2 mp -46.44 -41.43 13.83 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.914 -0.585 . . . . 0.0 112.212 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 36.2 mtp85 -83.34 -27.24 29.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.963 0.411 . . . . 0.0 111.206 -173.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.444 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 30.3 mm-40 -94.26 2.7 55.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.534 -175.099 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -95.09 105.91 22.32 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.981 0.42 . . . . 0.0 110.34 178.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 10.7 Cg_endo -89.74 16.06 1.82 Allowed 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 123.596 2.864 . . . . 0.0 112.304 -177.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -99.79 -46.88 5.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.317 -175.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.687 ' HZ ' HG13 ' A' ' 124' ' ' VAL . 56.3 m-85 -132.42 165.88 23.28 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 121.313 0.578 . . . . 0.0 112.389 -169.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -115.31 32.71 5.88 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.497 -1.298 . . . . 0.0 107.497 169.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.406 ' HA ' ' OD1' ' A' ' 36' ' ' ASP . 0.2 OUTLIER -59.51 166.5 2.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 114.119 -1.4 . . . . 0.0 113.811 -170.129 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -92.94 117.73 30.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.613 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.846 HG23 HD22 ' A' ' 62' ' ' LEU . 28.0 m -95.5 134.49 32.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.393 -176.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.424 ' HB1' ' O ' ' A' ' 20' ' ' GLN . . . -144.26 172.7 12.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.397 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.505 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 2.1 p -145.13 144.04 21.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.157 -177.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.23 152.71 20.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.909 -177.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -69.12 163.24 25.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.769 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.9 tt -54.92 -60.32 3.53 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.932 -175.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -70.51 -38.68 74.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.754 0.312 . . . . 0.0 111.172 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -61.89 -24.66 67.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.595 -178.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.3 t -53.75 -39.97 65.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.915 174.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -63.53 -46.63 85.15 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.881 0.372 . . . . 0.0 110.363 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.96 96.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.347 -178.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.454 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 60.6 mt -69.54 -41.93 80.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.382 179.194 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.43 -39.76 97.18 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.843 178.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -63.29 -31.66 72.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.044 0.45 . . . . 0.0 110.923 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.454 ' HB3' ' O ' ' A' ' 83' ' ' ILE . 8.7 tpt180 -46.65 -46.16 19.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.367 176.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.496 ' CD1' ' HB ' ' A' ' 89' ' ' VAL . 1.5 p90 -122.43 14.61 10.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.926 -177.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.8 t30 62.9 27.89 16.15 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.501 0.667 . . . . 0.0 111.8 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.496 ' HB ' ' CD1' ' A' ' 87' ' ' PHE . 59.6 t -117.43 94.31 3.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.188 0.518 . . . . 0.0 110.087 177.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -132.26 14.17 4.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.17 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 33.6 mtp85 -81.33 101.55 9.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.073 -174.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 71.33 156.31 0.16 Allowed Pre-proline 0 N--CA 1.468 0.448 0 O-C-N 124.301 1.001 . . . . 0.0 110.735 -176.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -66.39 105.35 0.87 Allowed 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.117 1.878 . . . . 0.0 110.923 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -110.36 146.51 35.67 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.313 -173.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.6 m -107.11 115.43 30.16 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 175.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.472 ' O ' HG23 ' A' ' 38' ' ' VAL . 94.1 mt -93.12 135.96 33.83 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -171.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 62.0 t -92.06 120.93 42.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.485 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.4 ' CZ ' HD12 ' A' ' 103' ' ' LEU . 95.4 m-85 -121.89 114.48 21.08 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.462 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 72.2 p -138.36 165.42 26.81 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 169.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 65.21 12.24 7.86 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.805 0.336 . . . . 0.0 110.602 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 69.79 16.0 71.87 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.021 -0.609 . . . . 0.0 111.888 -171.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -123.11 170.9 9.73 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.889 0.376 . . . . 0.0 110.792 -177.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.4 HD12 ' CZ ' ' A' ' 98' ' ' PHE . 55.6 tp -91.9 114.53 27.1 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 174.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.448 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 0.8 OUTLIER -95.93 -34.29 11.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.359 -173.302 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 171.11 -152.61 18.71 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.671 -178.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -150.3 160.06 43.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.749 0.275 . . . . 0.0 110.8 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.12 91.51 8.45 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 175.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.5 m -113.25 93.2 4.29 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.481 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -74.3 124.79 8.42 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.005 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.711 HG23 ' HD2' ' A' ' 111' ' ' HIS . 16.3 tt -106.38 -23.46 4.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.576 0.703 . . . . 0.0 109.607 178.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.711 ' HD2' HG23 ' A' ' 110' ' ' ILE . 39.7 m-70 -127.82 162.3 50.31 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 174.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -69.51 85.08 0.59 Allowed 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.134 1.889 . . . . 0.0 111.488 173.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 67.9 -170.74 0.19 Allowed 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.651 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 78.22 -54.19 0.49 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.885 0.874 . . . . 0.0 111.814 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.549 ' CG ' ' HB2' ' A' ' 111' ' ' HIS . 0.0 OUTLIER -76.73 -22.26 54.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.573 0.225 . . . . 0.0 111.311 -178.253 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.9 mt -56.5 -32.82 65.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.339 175.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.73 -35.92 82.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.201 0.524 . . . . 0.0 110.074 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.5 m -79.08 -39.0 34.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.138 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.4 -48.69 79.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.522 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.412 ' HE1' ' HB3' ' A' ' 120' ' ' MET . 13.8 tmm? -57.34 -48.25 79.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.491 178.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -24.97 64.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.773 -177.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 19.2 t -76.98 -37.23 55.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.792 0.329 . . . . 0.0 111.08 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 83.8 mt -78.98 -49.82 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.844 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.687 HG13 ' HZ ' ' A' ' 68' ' ' PHE . 5.8 m -125.97 73.7 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.772 0.796 . . . . 0.0 110.588 -178.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 24.9 t70 . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.059 178.881 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.595 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 47.4 tp . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 120.412 0.149 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.484 ' HZ3' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -53.72 -35.59 61.35 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 122.894 0.478 . . . . 0.0 111.211 -179.094 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -62.19 -45.45 93.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.143 0.497 . . . . 0.0 110.519 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.466 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 32.4 mmt180 -73.87 -27.53 61.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.212 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 56.2 mt -63.27 -38.54 91.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.075 0.464 . . . . 0.0 109.868 175.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.484 HD23 ' HZ3' ' A' ' 11' ' ' TRP . 59.8 mt -67.26 -25.34 66.02 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.274 175.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 30.6 m -63.93 -43.71 95.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.894 -178.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.97 131.19 6.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.746 0.308 . . . . 0.0 110.914 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.53 -77.85 0.38 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.767 172.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.53 ' CD1' HD21 ' A' ' 14' ' ' LEU . 59.6 m95 -69.31 125.95 28.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.439 0.638 . . . . 0.0 111.52 -171.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.631 HE21 ' HA ' ' A' ' 20' ' ' GLN . 0.1 OUTLIER -119.14 130.67 24.71 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.811 177.301 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.652 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 21.0 Cg_exo -65.55 111.73 1.95 Allowed 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.438 2.092 . . . . 0.0 111.791 176.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.478 HG11 ' HB2' ' A' ' 73' ' ' ALA . 4.6 m -81.01 -177.83 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.529 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.449 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 45.6 mt-10 -140.34 167.8 21.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.389 -173.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.404 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -72.68 -65.32 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -173.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.6 m -80.01 3.43 20.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.839 0.352 . . . . 0.0 111.052 -174.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.5 m -124.85 8.94 8.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.188 0.518 . . . . 0.0 110.598 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.505 ' O ' HG12 ' A' ' 31' ' ' ILE . 14.7 p -68.64 -41.26 82.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.729 -177.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -77.13 -26.11 52.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.233 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -67.87 -39.6 83.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.057 176.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.453 ' O ' HG23 ' A' ' 34' ' ' VAL . 63.3 t90 -67.17 -43.12 83.01 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.34 176.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.505 HG12 ' O ' ' A' ' 27' ' ' VAL . 40.6 mm -61.15 -44.08 97.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 110.832 178.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.466 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -66.89 -23.78 66.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 176.854 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -80.78 -45.59 16.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.218 0.533 . . . . 0.0 111.031 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.625 ' HB ' ' NE2' ' A' ' 71' ' ' GLN . 33.5 m -89.96 -32.64 5.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.175 -175.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.15 -56.59 3.24 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 112.107 -0.397 . . . . 0.0 112.107 178.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -131.52 116.46 17.47 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.02 0.438 . . . . 0.0 110.415 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.31 -167.13 29.44 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.01 -177.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.542 ' HB ' ' CZ3' ' A' ' 70' ' ' TRP . 2.7 p -151.14 141.49 15.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.257 0.551 . . . . 0.0 112.138 -177.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.451 ' CD1' HD13 ' A' ' 31' ' ' ILE . 2.0 mp -110.11 122.99 65.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 174.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.484 ' HG ' HD11 ' A' ' 58' ' ' ILE . 1.2 tm? -96.94 119.17 34.92 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 176.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.427 ' HB3' ' OG ' ' A' ' 80' ' ' SER . 6.0 mp -99.68 150.01 22.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.063 -172.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.9 m . . . . . 0 N--CA 1.465 0.304 0 CA-C-N 115.159 -0.928 . . . . 0.0 112.888 173.455 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.5 m . . . . . 0 N--CA 1.449 -0.508 0 CA-C-O 121.793 0.806 . . . . 0.0 111.636 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.508 ' HG2' HD22 ' A' ' 61' ' ' LEU . 48.8 ttm -84.01 -21.01 31.81 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.691 178.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.484 HD11 ' HG ' ' A' ' 40' ' ' LEU . 2.2 mp -63.42 -28.68 45.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 114.955 -1.021 . . . . 0.0 111.053 -177.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.7 -49.41 70.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.223 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -75.66 -45.62 36.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.171 0.51 . . . . 0.0 110.087 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.508 HD22 ' HG2' ' A' ' 57' ' ' MET . 1.5 mm? -53.26 -44.09 67.92 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.085 -178.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.5 tp -48.92 -50.05 37.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.234 -175.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -88.33 3.18 50.64 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -172.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -121.7 4.78 10.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.249 0.547 . . . . 0.0 110.015 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.435 ' CD2' ' HB2' ' A' ' 67' ' ' GLN . 1.3 t80 -80.2 113.38 38.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.737 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.38 -12.13 27.14 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.834 2.356 . . . . 0.0 112.678 -175.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.435 ' HB2' ' CD2' ' A' ' 65' ' ' PHE . 47.8 mm-40 -74.07 -67.52 0.6 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -167.39 -178.91 4.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.043 0.449 . . . . 0.0 111.621 -173.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -109.73 138.49 46.01 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 169.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.542 ' CZ3' ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -141.73 160.45 40.15 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.056 -168.549 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.625 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 36.1 mt-30 -78.26 113.17 15.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.017 -171.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.8 m -92.23 140.81 15.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.739 -174.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.478 ' HB2' HG11 ' A' ' 22' ' ' VAL . . . -143.34 150.67 39.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.708 177.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.652 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 10.8 p -145.18 158.22 13.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -178.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.42 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . . . -114.57 170.14 8.53 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 177.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -64.71 -67.21 0.45 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.997 0.427 . . . . 0.0 109.864 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.47 ' HG ' ' N ' ' A' ' 78' ' ' GLU . 2.5 pt? -174.45 -45.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.229 177.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.47 ' N ' ' HG ' ' A' ' 77' ' ' LEU . 36.6 tt0 -64.88 -38.41 90.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.261 -175.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.42 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . 21.4 mp0 -61.35 -27.76 68.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.412 -177.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.427 ' OG ' ' HB3' ' A' ' 41' ' ' LEU . 30.3 t -52.69 -36.7 57.71 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 123.237 0.336 . . . . 0.0 111.878 -175.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -70.87 -54.8 10.16 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.552 -178.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.19 -39.45 92.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.906 -178.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 67.5 mt -60.65 -44.45 97.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-O 121.175 0.512 . . . . 0.0 110.213 177.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.403 ' HA3' ' H ' ' A' ' 90' ' ' ARG . . . -71.32 -28.5 69.76 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.192 177.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -71.09 -28.88 64.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.941 0.401 . . . . 0.0 110.599 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -44.45 -36.56 2.96 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.901 175.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.576 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 0.1 OUTLIER -109.03 -75.04 0.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 170.571 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.576 ' HB2' ' O ' ' A' ' 87' ' ' PHE . 34.9 t-20 167.14 75.59 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.393 0.677 . . . . 0.0 109.983 172.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 96.0 t -141.1 -50.44 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.801 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.403 ' H ' ' HA3' ' A' ' 84' ' ' GLY . 99.6 mtt180 69.4 -158.75 0.17 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.12 -179.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.35 92.29 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.497 0.665 . . . . 0.0 112.656 -173.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -134.79 123.58 16.17 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 114.854 -1.066 . . . . 0.0 108.836 170.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.46 100.89 0.19 Allowed 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.432 2.088 . . . . 0.0 112.339 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -158.87 169.25 24.77 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.802 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 47.9 m -110.81 116.92 32.1 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.493 -178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.422 ' O ' HG23 ' A' ' 38' ' ' VAL . 85.4 mt -96.85 124.72 40.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.847 0.356 . . . . 0.0 110.28 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.41 ' CG2' HD21 ' A' ' 107' ' ' LEU . 74.9 t -92.42 117.65 36.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.784 -177.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.404 ' CZ ' HD11 ' A' ' 103' ' ' LEU . 94.7 m-85 -113.21 105.45 13.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.331 179.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.623 ' OG1' ' HG3' ' A' ' 104' ' ' ARG . 62.3 p -133.55 167.12 21.05 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.436 ' HB2' ' O ' ' A' ' 99' ' ' THR . 11.5 m-20 68.47 9.07 7.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.722 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.22 8.18 81.96 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.537 -175.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -142.7 174.56 10.54 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 117.374 0.587 . . . . 0.0 112.2 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.404 HD11 ' CZ ' ' A' ' 98' ' ' PHE . 58.9 tp -79.63 127.3 32.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.62 174.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.676 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 1.2 mmp_? -105.65 -47.09 3.99 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.385 -176.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.696 ' HA3' HD13 ' A' ' 123' ' ' ILE . . . -174.94 -164.96 30.53 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.358 -0.925 . . . . 0.0 112.555 -178.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -134.68 147.11 50.04 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.635 0.255 . . . . 0.0 111.055 -177.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.833 HD13 HD23 ' A' ' 116' ' ' LEU . 4.1 mm? -115.9 154.8 29.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.793 178.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.7 m -110.45 -63.72 1.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.698 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.516 ' HA2' ' HG ' ' A' ' 116' ' ' LEU . . . 80.03 -70.81 2.86 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 111.67 -0.572 . . . . 0.0 111.67 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 48.8 mt 67.12 -72.98 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.141 0.576 . . . . 0.0 110.95 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.664 ' HB2' ' HD3' ' A' ' 112' ' ' PRO . 27.3 m80 -152.25 -57.85 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.375 0 C-N-CA 122.576 0.35 . . . . 0.0 111.154 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.664 ' HD3' ' HB2' ' A' ' 111' ' ' HIS . 9.2 Cg_endo -88.87 149.0 5.86 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 122.511 2.14 . . . . 0.0 112.352 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.407 ' CH2' HD12 ' A' ' 61' ' ' LEU . 2.0 t-105 -80.4 35.89 0.35 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.172 0.51 . . . . 0.0 110.273 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.37 -48.69 15.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.472 -174.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.41 -22.47 17.14 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.871 -177.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.833 HD23 HD13 ' A' ' 107' ' ' LEU . 46.0 mt -53.22 -46.17 68.97 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.768 175.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.39 -44.15 95.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.003 0.43 . . . . 0.0 109.944 -179.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.2 m -67.33 -51.19 55.45 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.593 -178.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.71 -42.19 91.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 -176.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 54.9 ttp -56.04 -41.72 75.42 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.151 177.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -60.63 -39.62 88.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.016 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.5 t -76.12 -44.52 38.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.224 -178.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.696 HD13 ' HA3' ' A' ' 105' ' ' GLY . 51.3 mm -75.48 -49.2 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.33 -175.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.9 m -136.76 77.35 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.184 0.516 . . . . 0.0 110.386 -178.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 28.7 t70 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.366 178.918 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.5 tp . . . . . 0 CA--C 1.529 0.155 0 CA-C-O 120.766 0.317 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 27.1 t-105 -66.89 -43.2 84.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.924 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -59.87 -36.29 76.59 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.275 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -64.21 -28.78 69.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.983 -178.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.1 mt -68.16 -42.67 79.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.869 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.671 ' HA ' ' O ' ' A' ' 18' ' ' GLY . 11.3 mp -60.94 -26.13 67.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.718 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.3 m -62.7 -37.94 88.46 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 120.875 0.369 . . . . 0.0 110.264 178.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -80.06 -38.62 31.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.276 0.56 . . . . 0.0 110.134 174.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.671 ' O ' ' HA ' ' A' ' 15' ' ' LEU . . . 158.04 -108.09 0.35 Allowed Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 -178.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.441 ' HE3' ' HB ' ' A' ' 74' ' ' VAL . 25.2 m95 60.14 107.71 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.85 0.834 . . . . 0.0 112.417 173.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -94.32 113.78 61.68 Favored Pre-proline 0 C--N 1.31 -1.115 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.879 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.543 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 9.7 Cg_exo -68.58 109.88 2.17 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 122.2 1.934 . . . . 0.0 111.159 177.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.455 HG12 ' HB2' ' A' ' 73' ' ' ALA . 5.8 m -92.21 -177.96 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.653 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -141.81 167.66 21.6 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.389 -172.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.49 -38.08 41.72 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.203 176.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.8 m -80.2 -9.74 59.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.232 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 m -122.99 1.83 9.29 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -174.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.6 p -68.02 -37.56 78.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 O-C-N 121.994 -0.441 . . . . 0.0 111.308 -177.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -67.42 -48.85 66.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.399 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -71.57 -32.45 68.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.521 -176.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.508 ' O ' HG21 ' A' ' 34' ' ' VAL . 36.0 t90 -64.43 -49.9 69.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.59 0.233 . . . . 0.0 110.451 -179.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.417 HD13 ' CD1' ' A' ' 39' ' ' ILE . 45.9 mm -62.44 -38.68 81.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.185 0.517 . . . . 0.0 110.112 177.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -58.06 -38.76 76.94 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.026 176.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -80.93 -47.17 14.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.101 -171.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.508 HG21 ' O ' ' A' ' 30' ' ' TRP . 30.2 m -95.42 -46.6 13.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -175.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.22 -56.02 2.1 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 121.064 -0.589 . . . . 0.0 112.148 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -103.05 129.77 49.96 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.701 0.286 . . . . 0.0 110.771 -176.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.37 179.94 38.82 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.188 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.522 HG11 ' HA ' ' A' ' 97' ' ' VAL . 10.3 m -136.07 125.9 40.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.728 0.299 . . . . 0.0 111.491 -177.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.43 HG21 HD13 ' A' ' 41' ' ' LEU . 2.3 mp -98.15 121.05 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 tt -89.98 113.22 24.84 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 175.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.43 HD13 HG21 ' A' ' 39' ' ' ILE . 7.9 mp -86.39 125.76 33.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.988 -177.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.575 ' HB3' ' HB3' ' A' ' 93' ' ' PRO . 35.3 t . . . . . 0 CA--C 1.53 0.205 0 O-C-N 124.067 0.854 . . . . 0.0 111.806 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 CA--C 1.529 0.142 0 CA-C-O 121.467 0.651 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.465 ' O ' ' HB2' ' A' ' 61' ' ' LEU . 60.5 mmm -56.78 -20.2 21.08 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.085 -0.961 . . . . 0.0 113.157 -177.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.524 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 5.2 mp -68.18 -21.61 26.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-O 120.995 0.426 . . . . 0.0 110.525 -176.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.28 -57.08 11.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.823 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -70.66 -30.29 66.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.717 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.524 ' HB2' ' HA ' ' A' ' 58' ' ' ILE . 0.6 OUTLIER -52.96 -33.13 49.63 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.515 -177.818 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 tt -46.43 -53.74 10.48 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.652 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -90.1 -3.04 58.15 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -178.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -74.86 -20.66 59.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.988 0.423 . . . . 0.0 109.894 174.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.413 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 4.9 t80 -74.54 116.97 58.35 Favored Pre-proline 0 N--CA 1.451 -0.396 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 65' ' ' PHE . 2.8 Cg_exo -75.79 16.06 0.82 Allowed 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 123.55 2.834 . . . . 0.0 113.445 -174.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -109.9 -69.53 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -153.7 167.34 29.91 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -172.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -86.67 109.7 19.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.582 174.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -105.9 158.31 16.86 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.032 0.444 . . . . 0.0 111.267 178.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -76.33 110.0 10.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.396 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.9 t -76.12 118.98 23.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.039 175.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.455 ' HB2' HG12 ' A' ' 22' ' ' VAL . . . -118.33 143.58 46.5 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.93 -178.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.543 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 3.2 p -126.76 131.75 70.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.802 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.428 ' HB3' HG22 ' A' ' 22' ' ' VAL . . . -112.67 144.65 41.81 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.911 0.386 . . . . 0.0 111.26 -177.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.478 ' HB3' ' OE1' ' A' ' 79' ' ' GLN . 14.1 t70 -67.16 154.1 42.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.038 175.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.534 HD12 ' N ' ' A' ' 78' ' ' GLU . 2.6 pp -59.76 -31.01 69.26 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -175.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.534 ' N ' HD12 ' A' ' 77' ' ' LEU . 29.9 tt0 -73.47 -45.71 52.55 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.214 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.478 ' OE1' ' HB3' ' A' ' 76' ' ' ASP . 1.5 mp0 -64.33 -35.09 79.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.727 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.8 m -61.99 -29.01 69.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.922 -178.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -65.74 -44.25 86.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.034 0.445 . . . . 0.0 110.234 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.14 -41.84 66.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.721 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 84.7 mt -59.37 -43.4 90.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.184 0.516 . . . . 0.0 110.135 176.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.536 ' HA2' HG13 ' A' ' 89' ' ' VAL . . . -67.4 -28.39 73.64 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.66 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -77.03 -31.61 56.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.818 0.342 . . . . 0.0 110.906 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -44.92 -45.6 10.48 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.493 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -124.03 11.41 8.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.196 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 66.7 t30 56.21 68.18 0.9 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.788 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.536 HG13 ' HA2' ' A' ' 84' ' ' GLY . 6.5 p -110.32 12.26 8.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.138 178.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -55.18 101.41 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.445 -177.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -149.22 -69.93 0.21 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.525 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -149.99 154.02 36.41 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.28 177.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.575 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 32.0 Cg_exo -59.19 116.99 3.66 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.582 2.188 . . . . 0.0 111.833 177.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -140.71 171.79 13.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.554 -176.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.483 HG21 ' HB ' ' A' ' 38' ' ' VAL . 10.1 m -108.05 120.71 43.1 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 176.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 94.3 mt -91.57 134.01 35.04 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 120.704 -0.399 . . . . 0.0 111.108 -174.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.522 ' HA ' HG11 ' A' ' 38' ' ' VAL . 67.1 t -98.64 114.2 35.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.919 -176.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.407 ' CE1' HD12 ' A' ' 39' ' ' ILE . 44.3 m-85 -109.36 120.98 44.16 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.549 179.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.2 p -124.31 127.16 47.21 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.256 178.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.3 t70 68.09 10.88 8.1 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.553 0.692 . . . . 0.0 110.31 -177.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 93.61 -5.97 73.96 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.441 -174.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -100.3 133.85 44.11 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 120.914 0.388 . . . . 0.0 110.447 -178.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 61.2 tp -86.51 108.61 18.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.874 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.9 mtp180 -94.24 -35.0 12.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.564 -177.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -175.83 -154.57 11.63 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 119.999 -1.096 . . . . 0.0 113.105 -177.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -133.46 161.34 34.84 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.908 0.385 . . . . 0.0 111.111 -176.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.17 74.86 2.26 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 45.7 m -155.67 137.23 14.15 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.057 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -157.41 -159.1 9.31 Favored Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.81 -0.709 . . . . 0.0 111.781 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.524 ' O ' ' HB2' ' A' ' 111' ' ' HIS . 41.2 mm -101.27 144.49 12.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.524 ' HB2' ' O ' ' A' ' 110' ' ' ILE . 81.2 m-70 79.13 151.15 0.12 Allowed Pre-proline 0 N--CA 1.47 0.558 0 O-C-N 123.988 0.805 . . . . 0.0 110.538 -174.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -76.07 4.86 4.92 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 123.026 2.484 . . . . 0.0 113.092 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 29.6 t-105 -176.15 176.7 1.68 Allowed 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 177.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 74.91 18.96 2.51 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.994 0.809 . . . . 0.0 110.512 -178.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.5 -39.46 9.14 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.011 179.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 70.1 mt -50.73 -44.78 58.33 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.041 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -56.93 -42.87 80.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.068 0.461 . . . . 0.0 111.24 -176.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.3 m -77.53 -37.39 51.01 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.984 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 91.2 mt -71.56 -43.37 66.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.575 -177.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 26.2 ptm -61.49 -42.76 99.29 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.884 -176.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.439 ' HA ' ' HB2' ' A' ' 125' ' ' ASP . 8.1 mmm180 -52.09 -44.34 64.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.016 0.436 . . . . 0.0 111.38 -178.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 42.4 t -76.54 -53.71 7.69 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.984 178.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.586 HG23 HG22 ' A' ' 124' ' ' VAL . 61.8 mt -88.62 -52.0 11.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -167.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.586 HG22 HG23 ' A' ' 123' ' ' ILE . 21.3 t -139.37 77.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.166 0.508 . . . . 0.0 110.427 -175.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.439 ' HB2' ' HA ' ' A' ' 121' ' ' ARG . 36.1 t70 . . . . . 0 C--N 1.321 -0.668 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.708 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.557 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 47.4 tp . . . . . 0 CA--C 1.531 0.23 0 N-CA-C 111.422 0.156 . . . . 0.0 111.422 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -55.14 -39.76 69.81 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.961 0.41 . . . . 0.0 110.613 178.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -63.21 -40.56 97.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.805 0.336 . . . . 0.0 110.271 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -69.62 -41.45 75.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.039 177.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 86.6 mt -60.93 -44.83 96.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.571 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.98 -27.05 68.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.809 178.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 54.7 m -75.26 -27.08 59.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -140.66 97.18 3.15 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.601 -0.439 . . . . 0.0 112.038 -173.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.9 -63.77 1.49 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.775 -0.726 . . . . 0.0 114.228 169.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 32.2 m95 -60.53 125.0 22.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.323 0.583 . . . . 0.0 111.964 -171.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -102.01 125.98 35.13 Favored Pre-proline 0 N--CA 1.449 -0.505 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.203 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.73 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 10.8 Cg_exo -70.69 119.52 6.4 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.635 2.223 . . . . 0.0 111.339 172.168 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.401 HG21 HG13 ' A' ' 39' ' ' ILE . 10.9 m -105.51 166.28 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.43 0.633 . . . . 0.0 112.001 -177.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.451 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 41.9 mt-10 -139.94 162.1 36.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.525 -174.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.13 -18.32 63.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.049 0.452 . . . . 0.0 111.384 -178.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.8 p -84.12 -61.53 1.79 Allowed 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.281 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.0 t -71.11 -18.92 62.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.994 -175.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.451 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 8.2 p -62.6 -26.86 41.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-O 120.722 0.296 . . . . 0.0 110.955 -177.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.416 ' HB2' ' NH2' ' A' ' 86' ' ' ARG . 10.3 t70 -61.85 -49.57 75.71 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.205 0.526 . . . . 0.0 110.045 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.513 ' O ' ' HB2' ' A' ' 33' ' ' ARG . 28.9 t70 -75.54 -36.7 60.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.192 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.433 ' O ' HG22 ' A' ' 34' ' ' VAL . 64.8 t90 -59.33 -51.39 70.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.13 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.7 mm -60.49 -46.32 95.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.955 0.407 . . . . 0.0 110.809 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.435 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -68.24 -21.65 64.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.804 -179.251 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.513 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -77.45 -36.85 52.58 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.255 -177.045 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 30' ' ' TRP . 6.3 m -105.51 -46.98 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.897 -177.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.3 -36.11 4.6 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.426 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.444 ' OD2' ' HA ' ' A' ' 70' ' ' TRP . 10.1 p-10 -126.23 156.96 39.45 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 122.396 0.278 . . . . 0.0 110.289 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.575 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . 149.39 -178.61 26.8 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.913 176.27 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.473 HG13 ' HA ' ' A' ' 97' ' ' VAL . 12.1 m -138.19 133.96 44.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.922 0.392 . . . . 0.0 111.368 -179.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.466 HD12 ' CE1' ' A' ' 98' ' ' PHE . 1.9 mp -106.6 117.01 51.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 174.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.506 ' HB3' HG21 ' A' ' 74' ' ' VAL . 1.8 tt -93.48 123.91 37.11 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 93' ' ' PRO . 9.2 mp -91.03 123.67 34.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.707 -0.224 . . . . 0.0 110.467 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.9 t . . . . . 0 CA--C 1.532 0.28 0 O-C-N 123.917 0.761 . . . . 0.0 110.646 -179.543 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.9 t . . . . . 0 CA--C 1.532 0.262 0 CA-C-O 121.616 0.722 . . . . 0.0 109.866 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -58.39 -37.37 75.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.382 -0.827 . . . . 0.0 111.865 -173.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.3 mp -63.71 -31.99 55.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.419 -171.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.35 -52.52 63.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.338 . . . . 0.0 111.237 -177.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -75.48 -29.64 59.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.987 0.422 . . . . 0.0 110.09 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 28.1 tp -52.56 -44.11 65.64 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.37 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 64.6 tp -50.04 -40.04 43.76 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.684 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -86.94 -28.47 22.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.493 -177.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -76.87 -38.04 54.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.007 -178.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.02 110.21 2.79 Favored Pre-proline 0 CA--C 1.529 0.147 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.982 -175.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -86.3 0.26 8.13 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.724 2.283 . . . . 0.0 112.721 -175.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -78.87 -48.5 14.55 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.799 -177.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.457 ' HE1' ' CE3' ' A' ' 70' ' ' TRP . 0.1 OUTLIER -172.52 162.58 5.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.347 -179.444 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -92.45 83.89 5.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.534 174.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.575 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . 0.1 OUTLIER -76.53 159.19 30.57 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.294 0.568 . . . . 0.0 112.108 -177.186 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -77.96 113.49 15.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.261 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 63.8 t -90.62 122.43 41.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.603 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -138.59 157.97 45.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.723 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.73 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 4.1 p -145.14 145.48 20.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -177.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.68 147.13 24.67 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.712 178.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -53.78 -74.62 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.299 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.2 tp -168.73 -62.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.614 176.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -61.36 -33.48 73.71 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.022 0.439 . . . . 0.0 110.205 175.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.489 ' O ' HG13 ' A' ' 83' ' ' ILE . 91.6 mt-30 -59.69 -37.12 77.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.648 178.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.9 m -61.89 -31.25 71.52 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.337 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.747 ' HG3' ' HD3' ' A' ' 91' ' ' ARG . 38.5 tt0 -63.9 -41.52 97.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.163 -179.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.23 -36.85 66.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.756 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 79' ' ' GLN . 68.7 mt -63.23 -42.58 96.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.15 -36.53 92.51 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.513 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -72.15 -31.79 66.3 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.182 0.515 . . . . 0.0 110.691 -178.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.416 ' NH2' ' HB2' ' A' ' 28' ' ' ASP . 9.6 tpt85 -49.19 -40.96 35.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.975 -1.012 . . . . 0.0 111.524 -177.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.404 ' HD1' HG21 ' A' ' 89' ' ' VAL . 2.9 p90 -124.29 17.41 9.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.626 -179.059 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 47.2 t30 60.41 76.75 0.35 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.498 176.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.404 HG21 ' HD1' ' A' ' 87' ' ' PHE . 86.2 t -143.04 143.31 25.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 172.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -67.24 157.34 34.07 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.739 0.304 . . . . 0.0 110.462 178.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.747 ' HD3' ' HG3' ' A' ' 81' ' ' GLU . 18.4 mtm180 -75.19 90.76 2.57 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.171 0.51 . . . . 0.0 111.451 -172.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -122.71 146.02 46.81 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.098 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.403 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 55.3 Cg_endo -72.17 106.8 2.11 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.308 2.006 . . . . 0.0 111.721 176.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.437 ' HA ' ' HA ' ' A' ' 108' ' ' SER . . . -155.19 156.14 35.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.492 -178.086 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.428 HG23 ' HB ' ' A' ' 38' ' ' VAL . 8.2 m -101.88 125.71 48.62 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.887 177.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.528 ' HB2' ' HE1' ' A' ' 98' ' ' PHE . 39.7 mt -91.74 131.16 37.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.456 -179.287 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.473 ' HA ' HG13 ' A' ' 38' ' ' VAL . 95.0 t -93.85 117.91 38.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.66 179.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.528 ' HE1' ' HB2' ' A' ' 96' ' ' LEU . 87.0 m-85 -115.51 122.84 46.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.794 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.1 p -137.38 155.63 49.15 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 172.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 67.31 10.8 8.0 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.969 0.414 . . . . 0.0 110.959 177.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 76.94 15.01 82.03 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.909 -0.662 . . . . 0.0 111.757 -173.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -128.65 164.08 23.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.954 0.407 . . . . 0.0 110.808 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.426 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 61.0 tp -90.75 125.4 35.68 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.288 -179.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.413 ' HB3' HG22 ' A' ' 123' ' ' ILE . 33.0 mmt180 -92.02 -40.47 11.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.01 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 169.44 -173.01 43.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.211 -0.995 . . . . 0.0 112.644 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.526 ' HB1' HD23 ' A' ' 96' ' ' LEU . . . -128.91 138.58 52.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.881 0.372 . . . . 0.0 111.475 -178.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -122.89 124.63 43.68 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 174.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.437 ' HA ' ' HA ' ' A' ' 94' ' ' ALA . 10.6 p -77.39 -78.91 0.12 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.791 0.329 . . . . 0.0 111.755 -177.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -154.97 73.07 0.25 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.88 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 9.4 tp -67.92 140.26 19.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.042 0.449 . . . . 0.0 110.765 -177.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.597 ' HB2' ' HD3' ' A' ' 112' ' ' PRO . 33.3 m80 -110.44 -51.15 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.448 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.597 ' HD3' ' HB2' ' A' ' 111' ' ' HIS . 34.0 Cg_exo -61.91 152.96 71.67 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 122.067 1.845 . . . . 0.0 112.115 175.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -122.47 -169.39 1.89 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 70.91 -54.11 0.66 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.24 0.616 . . . . 0.0 111.494 -177.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.41 -24.51 67.44 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.065 0.46 . . . . 0.0 110.74 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.0 mt -56.28 -31.76 63.93 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.509 177.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.31 -39.4 86.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.644 0.259 . . . . 0.0 110.837 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 32.3 m -68.46 -44.08 75.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.668 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 91.3 mt -68.94 -43.96 74.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.771 -179.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 47.4 ttp -61.5 -33.93 74.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.808 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.441 ' O ' ' HB2' ' A' ' 125' ' ' ASP . 7.4 tpt180 -59.68 -43.82 93.86 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -177.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 40.6 m -68.42 -29.86 68.62 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-O 120.997 0.427 . . . . 0.0 111.207 178.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.413 HG22 ' HB3' ' A' ' 104' ' ' ARG . 75.2 mt -74.49 -49.82 29.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.999 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 4.4 m -132.8 74.14 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.568 0.699 . . . . 0.0 110.893 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.441 ' HB2' ' O ' ' A' ' 121' ' ' ARG . 30.2 t70 . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.636 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.653 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 4.4 mm? . . . . . 0 N--CA 1.456 -0.166 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -57.57 -44.56 85.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.527 175.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -70.02 -35.28 74.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.452 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -63.29 -36.56 84.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.731 177.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 95.1 mt -60.32 -42.95 96.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.596 178.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.7 mt -60.07 -34.51 73.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.185 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.5 m -66.15 -25.86 67.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.919 178.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -108.41 22.29 16.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.484 0.659 . . . . 0.0 110.122 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.59 -126.96 8.68 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.165 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.3 m95 67.47 129.61 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.594 0.712 . . . . 0.0 111.887 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -111.54 113.63 53.24 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.445 178.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.597 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 24.8 Cg_exo -64.64 104.86 0.58 Allowed 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 122.268 1.979 . . . . 0.0 110.777 171.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.499 HG23 HG13 ' A' ' 39' ' ' ILE . 2.6 m -82.01 170.52 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -178.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.598 ' HG2' HE22 ' A' ' 79' ' ' GLN . 38.1 mt-10 -138.0 159.62 41.54 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.821 -174.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.52 -6.97 59.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.277 0.56 . . . . 0.0 109.958 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 m -77.76 -43.22 31.46 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.365 -177.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.3 p -116.84 8.36 13.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.843 -174.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.47 ' O ' HG12 ' A' ' 31' ' ' ILE . 7.4 p -54.38 -42.92 60.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.608 -177.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.94 -47.61 85.08 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.764 -178.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -75.11 -38.38 61.17 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 -177.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.559 ' O ' HG23 ' A' ' 34' ' ' VAL . 72.0 t90 -59.1 -49.45 77.81 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -178.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.47 HG12 ' O ' ' A' ' 27' ' ' VAL . 43.6 mm -56.81 -45.69 83.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 121.044 0.45 . . . . 0.0 110.815 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.421 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -68.16 -32.7 73.15 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.085 -179.62 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -44.43 37.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.019 -176.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 30' ' ' TRP . 34.6 m -84.71 -37.02 12.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.328 -177.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.7 -48.41 2.3 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.28 177.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -125.62 167.37 15.18 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.635 0.255 . . . . 0.0 110.499 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.85 177.03 15.75 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.318 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.5 m -135.81 127.4 44.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.954 0.407 . . . . 0.0 111.274 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.499 HG13 HG23 ' A' ' 22' ' ' VAL . 2.1 mp -96.1 111.76 26.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 172.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.544 HD13 HG21 ' A' ' 74' ' ' VAL . 2.8 tm? -89.59 109.69 20.62 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 177.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.3 mp -75.46 148.42 39.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.701 176.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.423 ' OG ' ' HA ' ' A' ' 77' ' ' LEU . 4.0 m . . . . . 0 C--N 1.328 -0.335 0 O-C-N 123.303 0.377 . . . . 0.0 110.081 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.6 t . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.525 ' O ' ' HB2' ' A' ' 61' ' ' LEU . 24.7 mmt -106.08 -27.58 11.03 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -176.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.448 HD13 ' N ' ' A' ' 58' ' ' ILE . 3.2 mp -80.88 -61.77 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -168.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.75 -34.2 71.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.556 0.693 . . . . 0.0 110.427 -176.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -66.64 -30.86 71.23 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.369 179.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.525 ' HB2' ' O ' ' A' ' 57' ' ' MET . 36.6 tp -61.75 -53.07 60.93 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 121.452 0.644 . . . . 0.0 109.845 174.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.06 -37.27 76.63 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.844 -1.071 . . . . 0.0 111.086 -178.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -52.84 -31.38 38.84 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.632 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 10.0 pt-20 -123.25 26.89 7.78 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.896 -179.414 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.71 101.68 7.42 Favored Pre-proline 0 C--N 1.331 -0.197 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.313 172.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.632 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 9.8 Cg_endo -90.14 11.28 2.8 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.408 2.739 . . . . 0.0 110.932 177.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.85 -53.58 8.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.184 -179.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -173.45 177.78 2.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.195 -178.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -113.92 141.05 47.86 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 176.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.422 ' N ' ' CD1' ' A' ' 70' ' ' TRP . 0.1 OUTLIER -151.42 165.74 33.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.998 0.428 . . . . 0.0 111.771 -173.351 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -73.49 114.54 11.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.329 -174.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.9 t -89.21 116.52 30.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.999 175.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.455 ' HB2' HG13 ' A' ' 22' ' ' VAL . . . -127.58 159.39 34.78 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.174 -176.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.597 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 12.7 p -144.78 149.6 16.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.181 -178.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.71 157.14 16.91 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 176.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.25 -83.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.53 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.423 ' HA ' ' OG ' ' A' ' 42' ' ' SER . 55.6 tp -160.76 -49.24 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.182 0.515 . . . . 0.0 109.691 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -65.67 -47.37 75.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.503 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.598 HE22 ' HG2' ' A' ' 23' ' ' GLU . 36.2 mt-30 -69.19 -22.48 63.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.37 -173.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.3 t -50.07 -40.82 46.51 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.813 0.339 . . . . 0.0 110.855 176.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -69.9 -43.47 71.68 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.6 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.04 -42.39 84.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.604 -177.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.49 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 74.9 mt -66.04 -40.51 87.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 110.269 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.0 -44.09 97.9 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.475 -0.869 . . . . 0.0 111.772 177.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -68.31 -30.39 69.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 0.0 110.876 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.49 ' HB3' ' O ' ' A' ' 83' ' ' ILE . 2.8 tpm_? -45.98 -40.29 10.21 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.859 175.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.4 ' HB2' ' H ' ' A' ' 88' ' ' ASN . 4.7 m-85 -96.7 -78.69 0.46 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 175.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.4 ' H ' ' HB2' ' A' ' 87' ' ' PHE . 4.2 p-10 177.06 21.49 0.0 OUTLIER 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.154 176.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 33.9 t -103.1 96.17 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -175.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -127.85 32.94 4.87 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.428 -174.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -113.05 -79.33 0.58 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.681 178.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.47 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 97.5 m-85 -124.22 138.18 30.39 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.101 -179.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 92' ' ' PHE . 7.8 Cg_exo -74.79 153.12 42.67 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 123.232 2.621 . . . . 0.0 112.406 -178.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -158.04 -172.19 3.81 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.063 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.543 ' HG1' HD21 ' A' ' 40' ' ' LEU . 7.2 m -97.6 117.17 31.28 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 93.3 mt -92.17 128.92 38.2 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.926 0.393 . . . . 0.0 110.842 -176.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 67.2 t -94.18 114.66 31.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.813 -176.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.409 ' CE1' HD13 ' A' ' 39' ' ' ILE . 95.5 m-85 -112.44 126.62 55.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.32 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.5 ' OG1' ' HG3' ' A' ' 104' ' ' ARG . 0.7 OUTLIER -146.18 142.93 28.92 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.676 176.486 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 66.89 12.75 9.11 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.622 0.576 . . . . 0.0 110.966 -178.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.89 5.73 83.32 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.531 -177.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -121.09 152.37 38.75 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 122.472 -0.428 . . . . 0.0 111.075 178.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 56.0 tp -77.92 113.15 15.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.416 175.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.5 ' HG3' ' OG1' ' A' ' 99' ' ' THR . 16.8 mmt85 -96.98 -16.24 20.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.976 -173.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 163.77 -172.41 39.65 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 119.875 -1.155 . . . . 0.0 112.886 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -127.55 142.26 51.42 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.52 ' HB3' ' HB ' ' A' ' 95' ' ' THR . 1.8 tm? -89.64 96.43 10.69 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.725 -177.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 65.6 m -81.34 86.95 6.18 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 174.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -78.9 99.18 1.64 Allowed Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.811 -176.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.478 ' O ' ' HB2' ' A' ' 111' ' ' HIS . 46.8 mm -70.27 -74.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 175.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.546 ' HB3' ' HD3' ' A' ' 112' ' ' PRO . 1.6 t60 173.93 -53.01 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.339 0 O-C-N 123.665 0.603 . . . . 0.0 110.422 173.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.546 ' HD3' ' HB3' ' A' ' 111' ' ' HIS . 26.8 Cg_exo -64.15 146.67 90.92 Favored 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 122.19 1.927 . . . . 0.0 111.968 176.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.476 ' CH2' HD12 ' A' ' 61' ' ' LEU . 3.6 t-105 -95.64 -140.16 0.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.011 -177.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 69.37 -70.87 0.13 Allowed 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.52 0.728 . . . . 0.0 111.909 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -65.96 -26.38 67.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 -177.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 7.3 mt -56.37 -37.16 69.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.983 175.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -64.8 -44.83 88.66 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.3 m -62.46 -51.22 68.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.43 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.07 -49.88 70.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.711 -178.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.845 ' HA ' ' HE2' ' A' ' 120' ' ' MET . 20.8 mmt -64.82 -29.42 70.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.328 -178.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -55.43 -34.47 64.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.98 0.419 . . . . 0.0 111.276 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.0 m -71.4 -30.31 65.96 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.436 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 49.6 mm -91.07 -49.05 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.634 -175.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.2 m -112.03 68.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.804 0.811 . . . . 0.0 110.781 -177.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.3 t70 . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.589 175.34 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.429 HD12 ' N ' ' A' ' 11' ' ' TRP . 4.1 pp . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.965 0.412 . . . . 0.0 111.386 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.429 ' N ' HD12 ' A' ' 10' ' ' LEU . 41.1 t-105 -64.51 -31.41 72.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.002 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -64.24 -35.77 81.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.371 177.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -67.66 -39.74 84.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.61 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.3 mt -66.38 -40.61 89.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.359 178.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -67.45 -26.61 66.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.606 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.2 m -63.95 -48.92 74.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.389 177.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -166.82 108.01 0.66 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.215 0.531 . . . . 0.0 110.691 176.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 156.8 -95.56 0.15 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.663 178.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.476 ' CE3' HG12 ' A' ' 74' ' ' VAL . 45.3 m0 -90.38 134.41 34.35 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.871 0.367 . . . . 0.0 111.854 -175.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -98.36 119.81 60.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.816 173.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.485 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 74.1 Cg_endo -76.32 108.69 2.72 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.412 2.075 . . . . 0.0 111.537 177.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.0 m -100.59 -176.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.4 0.619 . . . . 0.0 112.145 -175.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.615 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 44.9 mt-10 -143.42 174.12 11.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.872 -174.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.77 -28.67 19.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.931 0.396 . . . . 0.0 110.659 177.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 m -72.24 -2.78 20.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.364 -173.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.7 t -155.57 17.56 0.39 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.732 0.301 . . . . 0.0 111.348 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.615 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 7.1 p -68.35 -39.49 80.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.898 0.38 . . . . 0.0 111.025 -177.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -73.23 -27.76 61.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -77.92 -37.83 46.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.863 0.363 . . . . 0.0 110.072 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.402 ' O ' HG22 ' A' ' 34' ' ' VAL . 49.0 t90 -65.71 -49.48 68.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.449 179.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.413 HD12 HD13 ' A' ' 39' ' ' ILE . 27.3 mm -59.9 -37.25 71.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.978 0.418 . . . . 0.0 110.525 177.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.436 ' HB3' ' HE3' ' A' ' 32' ' ' LYS . 1.2 tmmt? -61.39 -34.03 74.66 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.896 177.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -81.05 -46.62 14.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.006 0.431 . . . . 0.0 111.578 -178.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.462 ' HB ' ' NE2' ' A' ' 71' ' ' GLN . 35.3 m -81.43 -33.31 12.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.25 -175.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.19 -53.57 4.64 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 111.932 -0.467 . . . . 0.0 111.932 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -122.73 127.57 49.38 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.715 0.293 . . . . 0.0 110.64 -176.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.8 176.82 44.34 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.118 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.488 HG11 ' HA ' ' A' ' 97' ' ' VAL . 15.8 m -134.32 142.33 41.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.714 0.257 . . . . 0.0 111.084 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.465 HG22 HD12 ' A' ' 41' ' ' LEU . 2.4 mp -111.83 119.85 60.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 175.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 tt -95.2 119.92 34.53 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.465 HD12 HG22 ' A' ' 39' ' ' ILE . 8.2 mp -93.43 139.54 30.58 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.518 0.192 . . . . 0.0 111.518 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.9 m . . . . . 0 N--CA 1.469 0.495 0 O-C-N 124.089 0.868 . . . . 0.0 112.15 173.874 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.4 t . . . . . 0 CA--C 1.532 0.266 0 CA-C-O 121.198 0.523 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.6 mmt -55.79 -34.16 65.05 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.563 -178.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.9 mp -64.87 -35.16 74.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.73 0.3 . . . . 0.0 111.112 -177.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.69 98.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.007 0.432 . . . . 0.0 111.054 -178.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -75.49 -41.44 55.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.358 0.599 . . . . 0.0 109.963 178.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.576 HD13 HD23 ' A' ' 116' ' ' LEU . 1.3 tt -63.51 -46.96 83.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.368 -175.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.567 ' HG ' ' HB ' ' A' ' 72' ' ' VAL . 0.3 OUTLIER -63.45 -33.88 76.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.033 -172.277 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 63' ' ' ARG . 23.7 mtp180 -79.08 -8.08 58.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.557 -177.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -97.98 -87.53 0.33 Allowed 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.038 178.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 24.72 87.57 0.08 OUTLIER Pre-proline 0 N--CA 1.467 0.422 0 O-C-N 124.781 1.301 . . . . 0.0 113.425 -174.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.21 -11.97 33.62 Favored 'Trans proline' 0 CA--C 1.529 0.244 0 C-N-CA 122.631 2.221 . . . . 0.0 112.441 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -73.57 -59.04 2.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.995 -178.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -161.7 -178.5 6.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.432 -176.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -112.55 140.06 47.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.557 179.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -152.76 171.59 18.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.911 -177.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.462 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 2.0 mp0 -86.05 146.51 26.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.972 0.415 . . . . 0.0 111.328 -177.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.567 ' HB ' ' HG ' ' A' ' 62' ' ' LEU . 5.4 p -114.04 129.58 69.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.31 178.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -133.08 141.67 48.32 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.141 0.496 . . . . 0.0 111.217 -177.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.485 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 16.5 m -131.67 158.52 43.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.265 179.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -140.44 144.37 36.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.028 0.442 . . . . 0.0 111.463 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -67.49 163.31 21.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.002 179.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.2 tt -60.25 -36.83 78.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.25 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.26 -38.58 89.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.271 0.557 . . . . 0.0 110.417 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.422 ' O ' HG13 ' A' ' 83' ' ' ILE . 15.0 mm100 -76.29 -31.08 58.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.111 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.1 t -52.54 -46.03 66.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.174 -174.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -57.78 -46.7 84.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 -177.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.14 -36.16 77.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.164 -178.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 79' ' ' GLN . 65.7 mt -65.66 -39.68 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.007 0.432 . . . . 0.0 110.439 179.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.42 ' HA2' ' HB ' ' A' ' 89' ' ' VAL . . . -61.69 -28.01 69.21 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.233 176.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -77.86 -37.02 49.22 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.203 0.525 . . . . 0.0 110.244 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -52.12 -48.4 64.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.723 -1.126 . . . . 0.0 112.217 -173.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -131.96 21.46 4.54 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.776 -177.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 58.8 t30 71.56 80.72 0.15 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.937 170.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.42 ' HB ' ' HA2' ' A' ' 84' ' ' GLY . 65.8 t -112.11 102.43 13.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.914 174.119 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.71 -179.82 3.86 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 175.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.499 ' O ' ' HB2' ' A' ' 92' ' ' PHE . 10.3 tpt180 64.99 31.08 11.51 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 123.506 0.504 . . . . 0.0 110.587 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.499 ' HB2' ' O ' ' A' ' 91' ' ' ARG . 79.4 m-85 77.73 149.6 0.12 Allowed Pre-proline 0 N--CA 1.47 0.557 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.704 179.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -70.26 165.93 29.9 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.194 2.596 . . . . 0.0 113.408 -176.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -163.3 -161.6 0.68 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.454 -177.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.9 m -109.87 115.61 30.13 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 176.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.508 ' HA ' ' HA ' ' A' ' 106' ' ' ALA . 6.3 mp -94.07 143.18 26.59 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.989 0.423 . . . . 0.0 111.196 -175.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.488 ' HA ' HG11 ' A' ' 38' ' ' VAL . 58.6 t -101.64 115.4 43.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.75 -175.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.48 ' CZ ' HD12 ' A' ' 103' ' ' LEU . 49.7 m-85 -113.31 112.53 23.85 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.965 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 70.0 p -133.12 153.6 51.37 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 67.43 16.95 10.08 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 123.29 0.369 . . . . 0.0 110.644 178.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 76.68 7.56 85.89 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.963 -176.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -125.86 156.68 39.23 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 121.021 0.439 . . . . 0.0 111.032 -177.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.48 HD12 ' CZ ' ' A' ' 98' ' ' PHE . 51.3 tp -80.31 110.97 16.25 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -88.13 -29.6 20.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.059 -177.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 166.24 -158.4 31.31 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.189 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.508 ' HA ' ' HA ' ' A' ' 96' ' ' LEU . . . -138.48 158.44 44.27 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.09 91.21 4.23 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -179.012 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.3 m -120.89 93.45 4.03 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.936 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.651 ' HA3' ' HG3' ' A' ' 115' ' ' GLU . . . -132.09 162.46 23.92 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.013 -178.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 17.7 tt -117.92 -11.02 11.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.307 0.575 . . . . 0.0 110.764 -177.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.489 ' O ' ' HG2' ' A' ' 115' ' ' GLU . 72.8 m-70 -99.99 131.3 24.58 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.46 177.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.27 107.38 0.36 Allowed 'Trans proline' 0 CA--C 1.529 0.241 0 C-N-CA 122.783 2.322 . . . . 0.0 112.585 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 74.0 -38.78 0.41 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.896 0.878 . . . . 0.0 112.529 175.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.58 -30.95 44.72 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -175.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.651 ' HG3' ' HA3' ' A' ' 109' ' ' GLY . 4.4 mm-40 -62.77 -30.64 71.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 110.985 -178.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.576 HD23 HD13 ' A' ' 61' ' ' LEU . 64.5 mt -63.62 -32.76 74.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.272 -178.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.449 ' O ' ' HB2' ' A' ' 121' ' ' ARG . 0.2 OUTLIER -59.84 -38.36 81.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.72 -177.275 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.6 m -88.35 -51.14 5.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.443 178.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.416 ' O ' HG13 ' A' ' 123' ' ' ILE . 93.9 mt -64.78 -50.09 68.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.911 -173.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 55.6 ttp -65.83 -33.8 76.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.923 0.392 . . . . 0.0 110.3 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 73.7 ttt180 -58.65 -41.34 85.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.301 178.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 24.8 t -75.48 -42.96 51.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.023 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 119' ' ' LEU . 84.9 mt -62.07 -49.35 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.302 -177.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 11.8 m -121.31 70.67 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.931 0.872 . . . . 0.0 110.591 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 24.2 t70 . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.61 -179.873 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.511 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 47.3 tp . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.73 0.3 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.545 ' CZ3' ' HG3' ' A' ' 21' ' ' PRO . 0.7 OUTLIER -58.55 -41.84 86.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.215 177.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -64.81 -38.23 90.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.816 0.341 . . . . 0.0 110.329 -178.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -73.12 -28.17 62.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.23 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 58.1 mt -68.82 -53.47 21.32 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.532 177.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.408 HD11 ' O ' ' A' ' 11' ' ' TRP . 10.7 mp -53.58 -24.69 14.54 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -177.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.9 m -53.37 -39.55 64.3 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 178.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -157.13 -34.5 0.08 Allowed 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 -174.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 19' ' ' TRP . . . -136.29 149.14 20.01 Favored Glycine 0 C--O 1.225 -0.442 0 C-N-CA 119.912 -1.137 . . . . 0.0 113.365 -172.228 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.428 ' HB2' ' O ' ' A' ' 18' ' ' GLY . 60.8 m95 74.18 109.81 0.07 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.819 0.819 . . . . 0.0 110.86 -176.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.565 ' NE2' ' HD2' ' A' ' 21' ' ' PRO . 32.4 tp60 -114.09 117.06 44.18 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.898 -176.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.667 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 37.0 Cg_exo -55.25 121.71 10.4 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.268 1.978 . . . . 0.0 111.519 175.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.588 HG23 HG22 ' A' ' 39' ' ' ILE . 1.2 m -84.93 175.52 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.237 0.542 . . . . 0.0 111.37 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.578 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 40.7 mt-10 -136.66 176.14 8.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.675 -174.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.72 -29.94 15.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.117 0.484 . . . . 0.0 110.85 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 m -83.23 -44.51 14.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.197 -177.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' A' ' 23' ' ' GLU . 20.8 p -91.71 -4.25 55.31 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -172.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.578 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 10.8 p -60.4 -37.71 75.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 120.705 0.288 . . . . 0.0 111.217 -176.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -62.55 -45.88 90.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.227 0.537 . . . . 0.0 110.314 -178.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -74.57 -31.22 62.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.628 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 71.2 t90 -62.12 -48.46 80.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.807 175.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.474 ' HA ' HG23 ' A' ' 34' ' ' VAL . 79.8 mt -61.06 -38.42 79.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.146 176.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.423 ' HE2' ' HB3' ' A' ' 32' ' ' LYS . 2.6 tmmm? -55.66 -43.35 76.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.085 175.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -77.39 -45.75 24.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.842 -174.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.474 HG23 ' HA ' ' A' ' 31' ' ' ILE . 25.6 m -77.36 -43.9 30.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.815 -174.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.92 -48.53 2.37 Favored Glycine 0 C--O 1.234 0.126 0 N-CA-C 111.965 -0.454 . . . . 0.0 111.965 -177.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.438 ' HA ' ' O ' ' A' ' 98' ' ' PHE . 9.3 m-20 -127.0 110.05 12.55 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.058 -0.571 . . . . 0.0 109.463 -179.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.54 176.98 44.61 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.637 -177.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.51 HG13 ' HA ' ' A' ' 97' ' ' VAL . 15.7 m -133.97 133.34 56.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.025 0.44 . . . . 0.0 111.708 -178.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.588 HG22 HG23 ' A' ' 22' ' ' VAL . 2.7 mp -101.03 115.37 42.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 174.322 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 tt -92.83 120.11 32.85 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.5 mp -85.76 131.68 34.27 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.514 -178.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 61.0 p . . . . . 0 N--CA 1.476 0.832 0 C-N-CA 124.625 1.17 . . . . 0.0 113.597 176.781 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.418 ' O ' ' HB3' ' A' ' 57' ' ' MET . 26.7 m . . . . . 0 C--O 1.235 0.29 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.418 ' HB3' ' O ' ' A' ' 56' ' ' VAL . 38.9 ttp 75.76 -47.22 0.58 Allowed 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.156 0.582 . . . . 0.0 110.554 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.2 mp -68.68 -31.63 51.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 171.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.23 -48.48 79.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.168 178.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 2.1 mp0 -60.02 -42.13 93.66 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.675 177.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -54.34 -45.25 72.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.575 0.702 . . . . 0.0 109.784 176.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -70.33 -4.63 23.11 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.879 -1.055 . . . . 0.0 112.393 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.596 ' HA ' ' NE ' ' A' ' 63' ' ' ARG . 4.0 mmp_? -109.82 -47.43 3.35 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 13.1 pt-20 -95.56 24.3 5.35 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -173.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.454 ' CE1' ' HD2' ' A' ' 68' ' ' PHE . 2.0 t80 -90.65 107.59 21.39 Favored Pre-proline 0 C--N 1.329 -0.295 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 176.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -78.64 15.85 1.37 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.445 2.763 . . . . 0.0 113.372 -173.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -126.22 -46.03 1.66 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -176.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.554 ' HZ ' HG12 ' A' ' 124' ' ' VAL . 68.4 m-85 -113.84 111.65 22.08 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -169.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -88.6 58.05 4.48 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 163.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -89.78 -175.23 4.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.822 -1.081 . . . . 0.0 112.155 -171.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -112.49 120.58 42.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.83 -172.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.3 p -102.4 139.89 22.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.872 -177.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.454 ' HB3' HG13 ' A' ' 22' ' ' VAL . . . -143.37 151.95 41.03 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.49 177.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.667 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 4.3 p -135.85 143.09 37.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.956 0.407 . . . . 0.0 110.692 -177.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.531 ' HB1' ' HB2' ' A' ' 79' ' ' GLN . . . -96.19 149.5 21.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.558 177.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -68.07 -81.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.788 -177.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -155.04 -45.89 0.08 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 121.108 -0.237 . . . . 0.0 110.999 174.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.68 -43.79 97.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.607 0.718 . . . . 0.0 110.106 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.531 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . 17.9 mp0 -68.93 -30.35 68.79 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.496 -178.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.6 t -53.84 -55.31 27.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.986 -175.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -65.43 -37.41 86.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.762 0.315 . . . . 0.0 110.995 -175.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.29 -40.19 89.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.985 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.513 HG22 HG21 ' A' ' 39' ' ' ILE . 87.3 mt -70.7 -42.82 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.263 176.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -59.62 -40.41 96.38 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 111.715 177.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -56.95 -32.06 65.64 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 123.075 0.55 . . . . 0.0 111.743 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -34.0 56.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.923 -179.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.14 10.49 10.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.983 0.421 . . . . 0.0 110.612 177.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 64.6 t30 66.96 30.35 7.64 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.481 175.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.4 t -94.14 121.7 44.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.622 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.421 ' O ' ' HG3' ' A' ' 91' ' ' ARG . 20.0 ttm180 -147.47 94.28 2.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.722 179.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 90' ' ' ARG . 10.8 mtm180 172.09 111.77 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.192 0.997 . . . . 0.0 109.532 171.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 67.83 164.8 0.13 Allowed Pre-proline 0 N--CA 1.468 0.452 0 O-C-N 123.964 0.79 . . . . 0.0 111.497 177.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.12 133.38 30.64 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.236 1.957 . . . . 0.0 111.072 173.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.941 ' HA ' ' HA ' ' A' ' 108' ' ' SER . . . -134.08 141.97 47.37 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.618 0.246 . . . . 0.0 110.933 -177.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.459 HG21 ' HB ' ' A' ' 38' ' ' VAL . 7.0 m -118.17 116.15 26.23 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 175.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.574 ' HA ' ' HA ' ' A' ' 106' ' ' ALA . 6.3 mp -92.54 139.91 30.09 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.066 0.46 . . . . 0.0 111.244 -176.048 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.51 ' HA ' HG13 ' A' ' 38' ' ' VAL . 45.3 t -97.07 106.15 18.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.914 -176.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.455 ' CE2' HD12 ' A' ' 103' ' ' LEU . 41.2 m-85 -101.72 110.84 22.9 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.169 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.8 p -138.0 149.57 46.21 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.616 -0.266 . . . . 0.0 110.364 -177.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.2 t70 70.8 11.16 7.14 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.506 0.67 . . . . 0.0 110.064 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.33 -2.37 85.01 Favored Glycine 0 N--CA 1.444 -0.83 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.53 -175.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.9 pttm -128.76 165.29 21.22 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 121.43 0.633 . . . . 0.0 112.375 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.455 HD12 ' CE2' ' A' ' 98' ' ' PHE . 56.2 tp -89.13 121.96 31.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.274 -178.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 54.8 mtt180 -105.4 -14.93 15.17 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 153.25 -163.75 30.72 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.039 -1.077 . . . . 0.0 112.766 177.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.574 ' HA ' ' HA ' ' A' ' 96' ' ' LEU . . . -132.48 153.88 50.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.754 0.312 . . . . 0.0 110.676 -178.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.06 -10.24 15.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.204 -178.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.941 ' HA ' ' HA ' ' A' ' 94' ' ' ALA . 24.2 m 60.75 -163.55 0.25 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.143 -172.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.499 ' O ' HG23 ' A' ' 110' ' ' ILE . . . -84.13 -21.07 57.93 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.511 173.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.749 HG12 ' H ' ' A' ' 111' ' ' HIS . 5.8 tt 55.06 -174.03 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 C-N-CA 124.225 1.01 . . . . 0.0 112.138 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.749 ' H ' HG12 ' A' ' 110' ' ' ILE . 15.2 t-160 -165.43 -51.34 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.41 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.712 ' HD3' ' HB3' ' A' ' 111' ' ' HIS . 5.1 Cg_exo -80.3 168.39 18.48 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 122.21 1.94 . . . . 0.0 111.4 174.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -137.26 83.15 1.97 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.19 0.519 . . . . 0.0 110.225 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -148.41 -41.91 0.16 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.207 175.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.52 ' H ' ' CD ' ' A' ' 115' ' ' GLU . 0.8 OUTLIER -76.56 -23.25 53.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.815 -177.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.3 mt -53.99 -32.56 54.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.56 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.1 -46.1 85.71 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.8 m -71.76 -40.77 69.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.736 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 93.3 mt -59.38 -44.2 92.81 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.25 178.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -58.14 -44.18 87.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.354 177.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.404 ' HD2' ' HA ' ' A' ' 121' ' ' ARG . 7.0 tpt180 -68.52 -29.66 68.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -178.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.8 t -75.66 -39.09 58.18 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.039 0.447 . . . . 0.0 110.536 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.412 HG22 HG13 ' A' ' 124' ' ' VAL . 79.9 mt -74.7 -48.67 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.027 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.554 HG12 ' HZ ' ' A' ' 68' ' ' PHE . 6.0 m -130.97 76.4 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.799 0.809 . . . . 0.0 111.428 -178.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.568 174.366 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.469 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 67.2 tp . . . . . 0 N--CA 1.455 -0.185 0 CA-C-O 120.842 0.353 . . . . 0.0 110.19 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.511 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 76.6 t-105 -56.29 -51.43 68.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.939 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -65.19 -33.95 77.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.969 0.414 . . . . 0.0 110.778 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -68.86 -36.79 78.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.051 178.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 95.6 mt -68.71 -31.34 70.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.452 176.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 11' ' ' TRP . 82.3 mt -66.18 -26.05 67.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.082 0.468 . . . . 0.0 110.369 175.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 m -73.49 -29.54 62.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.247 0.546 . . . . 0.0 109.84 175.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -71.35 -25.01 62.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.801 176.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.4 -135.1 6.84 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.206 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.494 ' CE3' HG11 ' A' ' 74' ' ' VAL . 45.6 m0 69.68 176.63 0.27 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.758 0.789 . . . . 0.0 112.641 173.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -145.33 114.06 4.83 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 114.847 -1.069 . . . . 0.0 109.462 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -71.27 106.84 2.0 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.091 1.861 . . . . 0.0 111.93 178.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.438 HG23 HG13 ' A' ' 39' ' ' ILE . 16.8 m -99.9 178.49 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.519 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 46.4 mt-10 -141.89 173.29 11.64 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.148 -173.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.473 ' HB1' HG13 ' A' ' 83' ' ' ILE . . . -97.81 -26.44 14.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.213 -177.179 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.9 m -71.2 -22.51 62.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.251 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.4 t -135.38 20.95 3.39 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.814 0.34 . . . . 0.0 110.95 -175.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.519 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 7.6 p -60.33 -47.5 92.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.194 -176.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.1 -41.69 90.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.592 -177.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -66.65 -36.91 83.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.682 0.277 . . . . 0.0 110.872 -178.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -65.11 -45.82 83.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.894 0.378 . . . . 0.0 110.307 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.427 HD13 ' CD2' ' A' ' 98' ' ' PHE . 70.5 mt -61.79 -32.3 53.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.203 178.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.429 ' HE2' ' HB3' ' A' ' 32' ' ' LYS . 2.9 tmmm? -63.29 -36.23 82.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.351 175.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.33 -45.28 22.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.106 -174.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.428 ' HB ' ' NE2' ' A' ' 71' ' ' GLN . 26.9 m -87.17 -40.96 14.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -175.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.62 -62.38 0.71 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.414 -0.422 . . . . 0.0 112.059 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.471 ' OD1' ' HA ' ' A' ' 99' ' ' THR . 15.5 m-20 -117.94 150.27 39.51 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -176.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.85 -172.76 39.8 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.388 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.41 ' O ' ' HB1' ' A' ' 73' ' ' ALA . 16.8 m -139.0 143.76 30.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.457 0.17 . . . . 0.0 110.627 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.438 HG13 HG23 ' A' ' 22' ' ' VAL . 2.1 mp -120.34 133.78 65.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 176.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.492 HD12 HG13 ' A' ' 58' ' ' ILE . 34.0 mt -83.6 140.61 32.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.743 176.109 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.6 mp -117.82 121.45 40.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.362 175.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.8 m . . . . . 0 N--CA 1.466 0.328 0 CA-C-O 121.976 0.894 . . . . 0.0 113.176 174.73 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 CA--C 1.523 -0.078 0 CA-C-O 120.91 0.386 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -47.62 -34.99 8.6 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.455 -176.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.492 HG13 HD12 ' A' ' 40' ' ' LEU . 44.8 mm -60.75 -33.77 56.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-O 120.893 0.377 . . . . 0.0 110.901 -177.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.461 ' HB2' ' HE1' ' A' ' 19' ' ' TRP . . . -78.1 -44.98 24.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.95 0.405 . . . . 0.0 111.044 179.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.55 -29.01 68.99 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.479 -178.1 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -41.0 63.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.152 0.501 . . . . 0.0 109.793 174.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.5 tp -66.97 -34.09 77.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 86.2 mtt-85 -64.04 -35.26 80.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -106.26 22.86 15.05 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.032 -174.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -112.2 90.25 13.57 Favored Pre-proline 0 C--N 1.331 -0.234 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.355 175.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -87.42 10.06 3.66 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.78 2.32 . . . . 0.0 112.393 -178.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -72.57 -39.59 67.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.371 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -177.16 -172.97 0.42 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.665 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -117.33 127.25 53.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.905 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -135.37 173.27 11.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.864 175.136 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.428 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -94.24 123.72 37.8 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.008 0.433 . . . . 0.0 110.657 -178.75 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 p -80.68 113.61 20.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.244 176.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.41 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -123.94 151.94 43.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.986 0.422 . . . . 0.0 111.072 -176.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.494 HG11 ' CE3' ' A' ' 19' ' ' TRP . 32.4 m -141.63 158.66 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.833 -175.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -114.98 157.17 23.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.032 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -82.65 -79.44 0.19 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.783 0.325 . . . . 0.0 110.859 -174.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.449 HD23 ' H ' ' A' ' 78' ' ' GLU . 2.2 pt? -157.72 -40.33 0.07 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.735 0.303 . . . . 0.0 111.146 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.449 ' H ' HD23 ' A' ' 77' ' ' LEU . 32.7 tt0 -77.46 -32.23 54.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.11 0.481 . . . . 0.0 110.825 -176.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.421 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 24.9 mp0 -62.66 -29.28 70.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.044 -178.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.7 m -50.46 -49.82 54.16 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 122.736 0.415 . . . . 0.0 111.803 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -62.36 -49.42 75.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.198 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.31 -35.1 71.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.731 -173.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.473 HG13 ' HB1' ' A' ' 24' ' ' ALA . 75.5 mt -68.31 -47.61 77.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.99 0.424 . . . . 0.0 110.114 176.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -65.24 -29.27 74.88 Favored Glycine 0 C--O 1.223 -0.579 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.155 178.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -75.33 -32.53 60.93 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.242 0.544 . . . . 0.0 110.791 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -51.24 -43.57 61.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.886 -178.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.471 ' HD1' HG21 ' A' ' 89' ' ' VAL . 0.9 OUTLIER -132.9 16.54 4.23 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -177.577 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 42.6 t30 63.73 80.61 0.23 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.436 0.636 . . . . 0.0 112.148 174.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.471 HG21 ' HD1' ' A' ' 87' ' ' PHE . 97.9 t -134.38 146.79 30.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.549 175.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.629 ' HB3' ' HD2' ' A' ' 92' ' ' PHE . 21.4 mmt180 -58.56 139.92 55.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.909 0.385 . . . . 0.0 111.738 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 74.1 mtm180 -84.07 75.74 10.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.085 0.469 . . . . 0.0 110.396 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.629 ' HD2' ' HB3' ' A' ' 90' ' ' ARG . 76.6 m-85 -135.54 152.4 76.28 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.247 177.085 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -56.1 100.71 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.807 2.338 . . . . 0.0 112.333 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -149.7 177.18 10.01 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.34 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.803 ' HB ' HD21 ' A' ' 107' ' ' LEU . 7.4 m -134.52 130.87 37.28 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.502 HD21 ' HB1' ' A' ' 106' ' ' ALA . 94.6 mt -92.46 142.2 27.68 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.69 0.281 . . . . 0.0 110.467 178.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.629 HG11 HG22 ' A' ' 123' ' ' ILE . 25.1 t -99.59 115.68 41.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.392 -178.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.466 ' CZ ' HD13 ' A' ' 103' ' ' LEU . 93.0 m-85 -112.38 116.94 31.14 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.086 0.47 . . . . 0.0 109.761 177.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.471 ' HA ' ' OD1' ' A' ' 36' ' ' ASP . 1.1 p -145.16 151.47 38.49 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.881 -178.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.664 ' HB2' HH12 ' A' ' 104' ' ' ARG . 3.7 t70 73.32 11.22 4.98 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.567 0.699 . . . . 0.0 109.624 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.14 -4.71 84.61 Favored Glycine 0 N--CA 1.442 -0.913 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.309 -175.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -127.56 175.1 8.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.252 0.548 . . . . 0.0 111.672 -176.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.466 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 59.5 tp -80.14 126.61 31.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.071 177.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.735 ' HG2' HG23 ' A' ' 123' ' ' ILE . 0.5 OUTLIER -98.45 -34.05 10.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.136 0.493 . . . . 0.0 110.154 -179.17 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 159.04 -137.88 5.39 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.39 -178.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.502 ' HB1' HD21 ' A' ' 96' ' ' LEU . . . -147.54 165.35 30.61 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.213 -0.292 . . . . 0.0 110.213 -179.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.803 HD21 ' HB ' ' A' ' 95' ' ' THR . 3.4 mm? -82.25 76.92 9.1 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 176.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.2 p -85.48 71.71 10.74 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.412 0.625 . . . . 0.0 110.954 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -110.4 -166.25 19.34 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.715 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 48.2 mm -105.08 -60.75 2.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.823 0.311 . . . . 0.0 111.453 -178.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.487 ' HB3' ' HD3' ' A' ' 112' ' ' PRO . 3.5 t60 -168.15 -53.54 0.0 OUTLIER Pre-proline 0 CA--C 1.539 0.523 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -174.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.487 ' HD3' ' HB3' ' A' ' 111' ' ' HIS . 98.4 Cg_endo -84.2 -162.0 0.15 Allowed 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 121.932 1.755 . . . . 0.0 113.324 -174.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -110.86 77.94 1.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.521 178.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -140.38 -47.43 0.43 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.288 0.566 . . . . 0.0 110.352 177.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.461 ' O ' HD21 ' A' ' 119' ' ' LEU . 1.8 pm0 -68.05 -27.72 66.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.234 -0.893 . . . . 0.0 110.243 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 43.1 mt -54.99 -37.66 66.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.726 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.34 -44.57 94.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.007 0.432 . . . . 0.0 110.764 -178.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.4 m -70.62 -43.52 69.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.981 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.461 HD21 ' O ' ' A' ' 115' ' ' GLU . 2.9 mm? -62.26 -50.91 69.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.732 -179.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.586 ' O ' HG21 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -65.6 -30.42 71.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.059 -176.068 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -58.13 -40.83 82.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.9 0.381 . . . . 0.0 111.065 -177.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 34.9 t -76.46 -34.36 58.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.64 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.735 HG23 ' HG2' ' A' ' 104' ' ' ARG . 83.2 mt -73.0 -49.82 36.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.553 -176.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.586 HG21 ' O ' ' A' ' 120' ' ' MET . 35.0 m -100.36 67.96 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 122.391 1.091 . . . . 0.0 109.23 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.8 t70 . . . . . 0 N--CA 1.468 0.472 0 CA-C-N 113.176 -1.829 . . . . 0.0 113.087 -176.622 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.527 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 92.5 mt . . . . . 0 N--CA 1.461 0.113 0 CA-C-O 120.549 0.214 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.59 ' CZ3' ' HG3' ' A' ' 21' ' ' PRO . 2.3 m95 -62.72 -36.09 81.84 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.143 179.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -61.64 -39.69 92.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.316 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -38.32 73.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.052 176.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.595 HD21 ' HB2' ' A' ' 19' ' ' TRP . 74.8 mt -66.58 -52.79 41.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.154 -177.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.6 mp -54.89 -24.57 23.99 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.895 178.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.0 m -58.52 -43.45 89.16 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.358 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -166.99 -49.13 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -177.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.446 ' O ' ' HB2' ' A' ' 19' ' ' TRP . . . -96.89 132.97 11.21 Favored Glycine 0 C--O 1.226 -0.399 0 C-N-CA 120.323 -0.941 . . . . 0.0 112.988 -173.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.595 ' HB2' HD21 ' A' ' 14' ' ' LEU . 21.1 m95 73.48 117.23 0.05 Allowed 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.809 0.814 . . . . 0.0 111.228 -178.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -114.09 136.02 22.16 Favored Pre-proline 0 C--N 1.318 -0.773 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.233 -177.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.678 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 6.7 Cg_exo -74.11 134.4 19.39 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.183 1.922 . . . . 0.0 110.932 171.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.457 HG12 ' HB1' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -97.98 -178.04 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.103 0.478 . . . . 0.0 111.635 -179.348 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.525 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 61.8 mt-10 -139.36 164.75 29.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.493 -174.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.463 ' O ' HG13 ' A' ' 27' ' ' VAL . . . -79.32 -46.18 18.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.038 0.447 . . . . 0.0 111.16 -176.14 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.8 m -79.21 -15.12 58.53 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.833 -177.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.9 m -105.58 -20.12 13.56 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.834 -176.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.625 ' O ' HG13 ' A' ' 31' ' ' ILE . 14.4 p -60.91 -35.54 65.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 O-C-N 122.178 -0.326 . . . . 0.0 111.006 -177.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -65.74 -31.43 72.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.282 0.563 . . . . 0.0 110.556 -176.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.505 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 32.4 t70 -85.91 -36.78 19.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.321 178.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.524 ' O ' HG21 ' A' ' 34' ' ' VAL . 60.2 t90 -58.29 -41.51 84.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.619 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.625 HG13 ' O ' ' A' ' 27' ' ' VAL . 96.7 mt -54.42 -50.86 54.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.148 -178.356 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.505 ' HE2' ' HA ' ' A' ' 29' ' ' ASP . 31.6 mtmt -60.43 -57.83 11.08 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.38 0.609 . . . . 0.0 110.695 179.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.6 ttt-85 -53.55 -46.65 70.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.296 -1.32 . . . . 0.0 112.481 -171.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.524 HG21 ' O ' ' A' ' 30' ' ' TRP . 22.1 m -83.53 -31.49 8.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.024 -178.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.55 -52.99 3.92 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.214 178.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -126.14 124.22 40.04 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.942 0.401 . . . . 0.0 110.087 -175.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.554 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . 175.72 -176.65 47.51 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 111.736 -0.546 . . . . 0.0 111.736 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.524 HG13 ' HA ' ' A' ' 97' ' ' VAL . 14.7 m -139.88 139.89 36.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.916 0.358 . . . . 0.0 111.211 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.457 HG21 HG21 ' A' ' 83' ' ' ILE . 2.2 mp -108.08 119.05 56.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 mp -91.7 125.2 36.34 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 174.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.418 HD12 ' HZ ' ' A' ' 87' ' ' PHE . 10.2 mp -81.55 107.08 14.02 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 173.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.527 ' HA ' ' O ' ' A' ' 76' ' ' ASP . 14.0 m . . . . . 0 CA--C 1.533 0.297 0 O-C-N 123.724 0.64 . . . . 0.0 110.529 -171.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.3 t . . . . . 0 C--O 1.234 0.257 0 CA-C-O 121.356 0.598 . . . . 0.0 109.918 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -63.49 -31.11 72.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.941 177.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.5 mp -68.13 -36.01 73.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-O 121.108 0.48 . . . . 0.0 109.833 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.75 -37.07 85.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.874 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.555 ' OE2' ' HD3' ' A' ' 63' ' ' ARG . 7.6 tp10 -71.22 -40.36 71.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.713 178.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.1 tt -56.44 -46.63 80.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.276 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.419 ' O ' HD21 ' A' ' 62' ' ' LEU . 5.0 tt -51.61 -41.58 61.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.936 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.555 ' HD3' ' OE2' ' A' ' 60' ' ' GLU . 74.6 mtp180 -66.21 -38.05 87.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.172 -172.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.466 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 10.0 pt-20 -104.3 22.76 14.25 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -171.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -99.16 101.36 12.4 Favored Pre-proline 0 C--N 1.331 -0.236 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 174.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.466 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 92.3 Cg_endo -91.35 11.23 2.54 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 123.006 2.471 . . . . 0.0 113.826 -173.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.99 -79.88 0.41 Allowed 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.271 -177.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -108.26 157.6 18.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.071 0.462 . . . . 0.0 111.354 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -105.75 95.11 5.57 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.554 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -100.92 165.89 11.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.27 0.557 . . . . 0.0 112.126 -173.179 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.493 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 1.9 mp0 -103.54 119.87 39.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.271 178.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.8 t -91.35 128.18 43.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.807 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.457 ' HB1' HG12 ' A' ' 22' ' ' VAL . . . -131.65 141.79 49.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.845 -179.099 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.678 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 3.5 p -132.75 140.66 46.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.478 -177.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.8 161.03 13.88 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 177.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.531 ' CG ' ' H ' ' A' ' 77' ' ' LEU . 4.0 p-10 -74.21 -91.26 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.599 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.531 ' H ' ' CG ' ' A' ' 76' ' ' ASP . 82.3 mt -142.63 -49.3 0.35 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.185 0.517 . . . . 0.0 110.283 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -70.52 -33.4 71.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.866 -177.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.423 ' O ' HG13 ' A' ' 83' ' ' ILE . 2.9 mp0 -75.0 -32.35 61.63 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.782 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.8 m -50.71 -53.71 29.14 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -176.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -66.56 -42.16 87.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.735 0.303 . . . . 0.0 111.169 -177.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.69 -41.84 98.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.217 -179.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.457 HG21 HG21 ' A' ' 39' ' ' ILE . 79.8 mt -68.46 -40.08 81.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.101 176.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.617 ' HA2' ' CE1' ' A' ' 87' ' ' PHE . . . -60.82 -37.31 93.46 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.528 178.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -60.44 -38.2 83.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.87 0.367 . . . . 0.0 110.625 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.427 ' HB3' ' O ' ' A' ' 83' ' ' ILE . 3.0 tpm_? -48.7 -49.4 38.08 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.376 177.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.617 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 3.1 p90 -106.1 14.98 27.02 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.791 0.329 . . . . 0.0 111.603 -179.081 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 63.87 21.69 12.73 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.401 174.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.461 ' HB ' ' CD1' ' A' ' 87' ' ' PHE . 61.9 t -120.47 93.58 2.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.108 0.48 . . . . 0.0 109.761 178.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 90' ' ' ARG . 0.2 OUTLIER -133.13 25.55 4.22 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.84 -177.629 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 92' ' ' PHE . 37.0 ttt85 -104.32 110.36 22.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.744 176.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' A' ' 91' ' ' ARG . 63.3 m-85 71.36 151.77 0.14 Allowed Pre-proline 0 N--CA 1.47 0.537 0 O-C-N 124.054 0.846 . . . . 0.0 111.6 -177.131 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 92' ' ' PHE . 6.6 Cg_exo -74.01 110.72 3.14 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.689 2.259 . . . . 0.0 111.58 176.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -128.93 174.15 9.77 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.787 -177.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.0 m -124.97 123.03 39.0 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.481 ' HB3' HD11 ' A' ' 103' ' ' LEU . 6.2 mp -98.43 143.87 28.4 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.943 -178.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.524 ' HA ' HG13 ' A' ' 38' ' ' VAL . 46.3 t -99.71 113.83 36.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.824 -175.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.444 ' CE2' HD12 ' A' ' 103' ' ' LEU . 87.2 m-85 -108.64 119.93 40.97 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.768 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.635 ' OG1' ' HG3' ' A' ' 104' ' ' ARG . 0.5 OUTLIER -148.37 150.78 34.16 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.886 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.47 ' HB2' ' O ' ' A' ' 99' ' ' THR . 4.6 m-20 69.26 12.81 8.5 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.532 0.52 . . . . 0.0 110.692 -174.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.92 12.48 83.38 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.648 -176.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -132.32 167.42 19.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.05 0.452 . . . . 0.0 111.107 -177.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.481 HD11 ' HB3' ' A' ' 96' ' ' LEU . 45.6 tp -87.68 109.87 20.0 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.711 176.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.635 ' HG3' ' OG1' ' A' ' 99' ' ' THR . 18.5 mmt180 -82.92 -38.02 23.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.733 -178.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.409 ' HA3' HD11 ' A' ' 123' ' ' ILE . . . 172.67 -145.82 8.74 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.278 -178.293 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' A' ' 96' ' ' LEU . . . -134.62 162.25 32.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.689 0.244 . . . . 0.0 110.885 -177.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.24 14.53 23.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.785 0.802 . . . . 0.0 109.126 -178.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.2 m -129.1 97.36 4.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.017 -176.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -121.87 -67.29 0.24 Allowed Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 174.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.437 ' O ' ' HB2' ' A' ' 111' ' ' HIS . 10.5 tt -143.84 97.08 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 173.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.437 ' HB2' ' O ' ' A' ' 110' ' ' ILE . 91.8 m-70 71.71 139.41 0.06 OUTLIER Pre-proline 0 N--CA 1.47 0.571 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.405 -172.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.83 -43.66 55.1 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.902 2.401 . . . . 0.0 112.81 -177.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -116.62 103.3 10.24 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.005 -178.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -176.83 -59.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.361 175.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.459 ' O ' HD23 ' A' ' 119' ' ' LEU . 17.4 mm-40 -74.38 -6.51 48.57 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.259 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.632 ' HA ' ' HB2' ' A' ' 119' ' ' LEU . 17.9 mt -54.77 -32.43 60.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.773 0.321 . . . . 0.0 111.047 175.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.2 -35.84 78.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.77 177.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.7 m -87.18 -34.78 18.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.968 0.413 . . . . 0.0 110.172 177.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.632 ' HB2' ' HA ' ' A' ' 116' ' ' LEU . 1.2 mm? -54.66 -49.56 70.31 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.516 177.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.76 ' HA ' HG21 ' A' ' 124' ' ' VAL . 22.0 ptp -66.1 -12.59 56.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.466 -178.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.552 ' HA ' ' CZ ' ' A' ' 121' ' ' ARG . 2.8 tpm_? -99.87 -55.36 2.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.237 0.541 . . . . 0.0 110.744 177.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.7 t -75.5 -52.36 10.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.077 -171.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.455 HD12 HD12 ' A' ' 119' ' ' LEU . 47.0 mt -93.01 -50.34 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -171.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.76 HG21 ' HA ' ' A' ' 120' ' ' MET . 6.0 m -110.7 61.79 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.336 0.588 . . . . 0.0 110.999 -178.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.778 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 tm? . . . . . 0 N--CA 1.455 -0.201 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 45.3 t-105 -64.17 -31.19 72.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.173 176.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -56.74 -31.11 64.23 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.091 0.472 . . . . 0.0 110.99 178.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -62.08 -28.25 69.48 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.938 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.614 HD22 ' HB2' ' A' ' 19' ' ' TRP . 37.5 mt -73.65 -29.77 62.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.449 0.642 . . . . 0.0 110.573 -178.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 mp -73.68 -26.36 60.69 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.819 175.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.4 m -64.81 -50.82 65.21 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.924 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -178.19 -32.56 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 178.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.594 ' O ' ' HA ' ' A' ' 14' ' ' LEU . . . -71.2 132.1 20.83 Favored Glycine 0 C--O 1.226 -0.382 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.51 -176.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.614 ' HB2' HD22 ' A' ' 14' ' ' LEU . 29.7 m0 62.46 -172.18 0.16 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.373 0.606 . . . . 0.0 111.645 -179.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.408 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 27.9 mm-40 -149.16 128.19 6.19 Favored Pre-proline 0 N--CA 1.444 -0.748 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.58 175.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 20' ' ' GLN . 1.7 Cg_endo -81.48 108.12 1.9 Allowed 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 122.718 2.279 . . . . 0.0 111.586 177.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.459 HG12 ' HB2' ' A' ' 73' ' ' ALA . 5.4 m -92.49 -173.05 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.415 -177.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.503 ' HB3' HG22 ' A' ' 26' ' ' THR . 2.5 tm-20 -133.62 179.54 6.16 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.819 -172.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.6 -32.24 12.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.327 -176.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.499 ' H ' ' CD ' ' A' ' 23' ' ' GLU . 3.8 m -90.76 -37.7 13.5 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.828 0.347 . . . . 0.0 111.071 -179.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.503 HG22 ' HB3' ' A' ' 23' ' ' GLU . 1.1 t -72.78 -7.46 50.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.752 0.31 . . . . 0.0 111.509 -177.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -58.91 -34.68 53.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.391 -175.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -59.53 -53.91 52.68 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.045 0.45 . . . . 0.0 110.7 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -70.8 -38.19 73.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.911 -175.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.598 ' O ' HG22 ' A' ' 34' ' ' VAL . 26.9 t90 -61.23 -52.31 65.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.553 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.0 mm -63.08 -42.42 96.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.9 0.381 . . . . 0.0 110.735 -178.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.484 ' HB3' ' HE3' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -65.72 -32.14 73.52 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.16 179.733 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -75.92 -47.05 26.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.002 0.43 . . . . 0.0 110.892 -175.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.598 HG22 ' O ' ' A' ' 30' ' ' TRP . 25.3 m -85.4 -52.1 12.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.396 -178.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.95 -26.02 14.52 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.168 -0.539 . . . . 0.0 111.858 -177.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -128.91 139.32 52.18 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 122.747 0.419 . . . . 0.0 110.073 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 157.21 171.1 22.86 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.487 178.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.542 HG11 ' HA ' ' A' ' 97' ' ' VAL . 28.8 m -134.0 136.05 54.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.933 0.397 . . . . 0.0 111.046 179.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.444 HD13 ' CE1' ' A' ' 98' ' ' PHE . 2.3 mp -107.0 124.39 62.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.661 175.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.679 ' HG ' HG12 ' A' ' 58' ' ' ILE . 0.8 OUTLIER -82.94 121.43 26.97 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 175.408 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.3 mp -88.65 116.44 26.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.36 177.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 C--N 1.333 -0.148 0 O-C-N 123.809 0.693 . . . . 0.0 111.836 179.084 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.8 m . . . . . 0 N--CA 1.455 -0.178 0 CA-C-O 121.542 0.687 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 46.3 ttm 173.44 -46.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.735 -1.12 . . . . 0.0 109.133 -177.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.679 HG12 ' HG ' ' A' ' 40' ' ' LEU . 2.8 mp -73.04 -25.39 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.387 -179.266 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.56 -45.59 82.74 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 174.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.417 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 1.7 mp0 -63.78 -38.0 89.45 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.322 174.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.534 ' HB2' ' HA ' ' A' ' 58' ' ' ILE . 0.1 OUTLIER -53.71 -53.49 51.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.125 176.212 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.621 HD23 ' HB ' ' A' ' 72' ' ' VAL . 14.3 tp -69.64 -37.26 76.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.899 -174.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.417 ' HG2' ' HA ' ' A' ' 60' ' ' GLU . 11.5 ptm180 -74.37 -2.31 24.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.874 0.369 . . . . 0.0 111.636 -173.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -86.11 -3.33 58.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.444 175.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.8 96.17 19.22 Favored Pre-proline 0 C--N 1.334 -0.101 0 CA-C-O 120.896 0.379 . . . . 0.0 111.086 177.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -93.29 16.32 1.28 Allowed 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 123.063 2.509 . . . . 0.0 111.904 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.64 -64.68 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.74 -174.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.411 ' HD1' ' H ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -132.21 152.95 51.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.112 0.482 . . . . 0.0 111.686 -175.356 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -94.24 129.14 40.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.34 -175.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -149.04 179.02 8.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.564 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -94.42 148.09 22.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.102 0.477 . . . . 0.0 111.753 -176.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.621 ' HB ' HD23 ' A' ' 62' ' ' LEU . 6.8 p -123.06 133.37 69.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.672 175.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.459 ' HB2' HG12 ' A' ' 22' ' ' VAL . . . -143.07 157.74 44.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.945 0.403 . . . . 0.0 111.573 -177.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.503 HG11 ' CE3' ' A' ' 19' ' ' TRP . 24.1 m -133.49 161.68 40.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.946 -178.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.91 157.38 46.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.063 0.458 . . . . 0.0 111.759 -177.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -67.88 151.89 46.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.205 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.5 tt -57.71 -46.88 83.78 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.404 -177.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.68 -36.61 82.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.176 0.512 . . . . 0.0 110.362 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.46 ' OE1' ' HG2' ' A' ' 23' ' ' GLU . 1.8 tt0 -67.77 -39.08 84.14 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.148 -179.136 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.458 ' HA ' ' HB ' ' A' ' 83' ' ' ILE . 39.5 t -59.06 -29.6 67.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.572 179.048 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -61.06 -42.91 99.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.24 0.543 . . . . 0.0 109.659 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.25 -28.68 53.71 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.693 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.458 ' HB ' ' HA ' ' A' ' 80' ' ' SER . 66.7 mt -66.84 -51.12 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.57 177.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.09 -28.91 69.72 Favored Glycine 0 C--O 1.226 -0.367 0 C-N-CA 120.743 -0.742 . . . . 0.0 111.573 176.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -69.79 -38.99 76.85 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.613 0.72 . . . . 0.0 110.35 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -53.64 -57.59 10.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.507 -1.224 . . . . 0.0 112.219 -178.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.424 ' O ' ' HB3' ' A' ' 88' ' ' ASN . 0.5 OUTLIER -91.86 -15.72 27.76 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.208 -175.696 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.424 ' HB3' ' O ' ' A' ' 87' ' ' PHE . 52.8 t30 80.43 68.49 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 O-C-N 124.743 1.277 . . . . 0.0 109.737 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 23.5 t -129.45 152.36 37.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.032 -178.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -71.3 150.7 44.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.054 178.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -90.37 92.75 9.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.954 0.407 . . . . 0.0 111.859 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -140.36 152.49 66.9 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 173.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -53.98 103.23 0.09 OUTLIER 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.624 2.216 . . . . 0.0 111.734 177.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.618 ' HB1' ' HG ' ' A' ' 108' ' ' SER . . . -147.99 159.47 43.85 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.894 -175.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 27.5 m -119.47 124.19 45.87 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.679 176.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.432 ' HB3' HD13 ' A' ' 103' ' ' LEU . 64.9 mt -92.03 124.86 36.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.009 0.433 . . . . 0.0 110.007 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.542 ' HA ' HG11 ' A' ' 38' ' ' VAL . 64.3 t -96.21 113.05 29.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.459 -178.063 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.444 ' CE1' HD13 ' A' ' 39' ' ' ILE . 84.8 m-85 -105.05 114.46 28.67 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.879 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.2 m -142.47 149.72 39.59 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 177.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.7 t70 69.95 9.64 7.17 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.792 0.806 . . . . 0.0 109.748 -176.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.23 0.76 89.44 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.568 -173.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -110.51 149.59 30.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.898 0.38 . . . . 0.0 111.184 -177.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.432 HD13 ' HB3' ' A' ' 96' ' ' LEU . 44.1 tp -72.24 97.46 1.99 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 169.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.505 ' HG3' HD13 ' A' ' 123' ' ' ILE . 22.6 tpp85 -97.33 -33.23 11.51 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.576 -168.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -133.65 147.86 19.19 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.078 -1.058 . . . . 0.0 112.992 -177.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.57 99.22 3.44 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 175.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -115.62 139.16 50.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.988 0.423 . . . . 0.0 111.483 -173.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.618 ' HG ' ' HB1' ' A' ' 94' ' ' ALA . 21.7 m -118.84 16.07 13.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.404 177.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -69.04 167.3 46.33 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 121.113 -0.565 . . . . 0.0 112.736 -177.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.447 HD13 ' N ' ' A' ' 110' ' ' ILE . 4.2 mp -94.66 -75.07 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 110.165 -179.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.65 ' HB3' ' HD3' ' A' ' 112' ' ' PRO . 2.6 t-160 -148.4 -49.68 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 177.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.65 ' HD3' ' HB3' ' A' ' 111' ' ' HIS . 4.4 Cg_exo -77.96 58.86 6.7 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.145 1.897 . . . . 0.0 110.555 168.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.687 ' CD1' ' HB2' ' A' ' 116' ' ' LEU . 3.3 p90 -71.03 -36.97 72.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.335 -173.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 68.55 -54.3 0.54 Allowed 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.755 0.659 . . . . 0.0 112.46 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -52.98 -42.07 65.2 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -174.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.687 ' HB2' ' CD1' ' A' ' 113' ' ' TRP . 14.7 mt -56.93 -32.89 66.43 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -177.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.561 ' O ' ' HB2' ' A' ' 121' ' ' ARG . 3.9 mm? -60.21 -36.29 77.33 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.814 0.34 . . . . 0.0 110.639 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.8 m -87.41 -37.16 17.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.092 0.472 . . . . 0.0 111.015 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 86.8 mt -69.24 -50.97 42.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.993 -175.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.504 ' HG3' ' O ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -71.45 -27.29 63.16 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.619 -0.432 . . . . 0.0 109.98 -177.266 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.561 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 26.7 ttt180 -56.36 -43.75 79.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.057 177.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.4 m -76.72 -30.26 56.56 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.756 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.505 HD13 ' HG3' ' A' ' 104' ' ' ARG . 87.1 mt -86.57 -50.21 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -171.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 16.9 m -105.96 68.48 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 122.023 0.916 . . . . 0.0 109.888 -175.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 114.069 -1.423 . . . . 0.0 111.734 -178.413 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.668 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 2.8 mm? . . . . . 0 C--O 1.226 -0.172 0 CA-C-O 120.448 0.166 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.551 ' HE3' ' HB2' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -59.74 -32.39 70.51 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.814 -174.909 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -62.6 -49.8 73.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.292 0.567 . . . . 0.0 110.708 178.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.47 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 18.6 mmt180 -75.09 -28.17 60.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.958 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.668 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 77.0 mt -64.48 -37.6 88.12 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 175.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.09 -26.91 67.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.784 174.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.3 m -68.58 -50.3 52.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.364 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -160.87 131.75 5.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.759 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 119.51 -66.42 0.4 Allowed Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.574 -0.822 . . . . 0.0 113.024 173.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.617 ' HB2' ' HB3' ' A' ' 14' ' ' LEU . 14.3 m95 -95.93 123.31 39.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.083 0.468 . . . . 0.0 110.83 -174.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -93.13 122.3 63.69 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.504 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.453 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 51.3 Cg_endo -72.69 102.88 1.47 Allowed 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.326 2.017 . . . . 0.0 111.44 175.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.0 m -87.28 172.36 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.481 -177.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.533 ' HG2' ' HG3' ' A' ' 79' ' ' GLN . 40.3 mt-10 -148.42 162.32 39.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.739 -173.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.64 -26.94 55.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.757 0.313 . . . . 0.0 110.792 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.6 m -66.75 -19.36 65.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.663 -178.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 t -140.37 19.6 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.074 0.464 . . . . 0.0 111.067 -177.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.424 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 13.5 p -66.13 -43.59 92.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.281 -175.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -60.29 -43.64 96.1 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.968 0.413 . . . . 0.0 110.826 -178.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -63.61 -47.61 80.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.77 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.423 ' O ' HG21 ' A' ' 34' ' ' VAL . 74.8 t90 -59.96 -48.22 82.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.856 -177.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.427 HG23 ' HB3' ' A' ' 98' ' ' PHE . 78.7 mt -58.32 -45.27 89.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.699 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -67.32 -40.02 85.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.582 0.706 . . . . 0.0 110.841 -178.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -64.13 -44.87 90.88 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.616 -1.175 . . . . 0.0 111.478 -177.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.479 ' HB ' ' NE2' ' A' ' 71' ' ' GLN . 33.7 m -83.31 -38.89 14.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.315 -179.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.9 -39.94 1.83 Allowed Glycine 0 N--CA 1.458 0.161 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.603 178.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.401 ' H ' ' C ' ' A' ' 34' ' ' VAL . 13.9 t0 -129.01 102.11 6.36 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.123 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.717 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . -165.96 -166.11 24.43 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.423 -176.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 96' ' ' LEU . 2.4 p -158.04 140.7 5.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.008 0.433 . . . . 0.0 111.599 -178.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.501 HG23 HD13 ' A' ' 41' ' ' LEU . 2.6 mp -109.92 122.43 64.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.344 176.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 tt -91.49 124.01 35.34 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 177.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.501 HD13 HG23 ' A' ' 39' ' ' ILE . 10.3 mp -101.32 112.98 25.64 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -176.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.692 ' HB2' ' HB3' ' A' ' 93' ' ' PRO . 66.5 m . . . . . 0 N--CA 1.466 0.334 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 173.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.2 t . . . . . 0 CA--C 1.536 0.422 0 CA-C-O 121.176 0.513 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 52.5 ttm -54.81 -45.56 74.42 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.931 -176.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.8 mp -64.78 -37.32 79.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-O 120.676 0.274 . . . . 0.0 111.111 -176.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.75 -39.12 84.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.861 0.362 . . . . 0.0 111.306 -177.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 10.9 tp10 -73.3 -39.59 65.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.149 0.5 . . . . 0.0 109.916 178.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.38 -35.2 71.64 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.927 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 59.1 tp -57.9 -45.73 86.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.059 -176.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 8.8 ptp180 -76.36 -16.38 59.75 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -173.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.489 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 7.0 tp10 -102.42 2.98 37.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.059 0.457 . . . . 0.0 110.64 -176.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.14 102.97 17.34 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.518 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 73.0 Cg_endo -91.21 0.95 4.75 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.854 2.37 . . . . 0.0 113.005 -177.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -92.64 -17.95 23.67 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -173.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.7 ' HZ ' HG13 ' A' ' 124' ' ' VAL . 74.5 m-85 -132.83 165.03 25.53 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.737 0.78 . . . . 0.0 112.931 -173.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -132.5 35.7 3.62 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 173.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.717 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . 0.1 OUTLIER -74.02 164.95 25.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.271 -1.331 . . . . 0.0 113.363 -169.871 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.479 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 2.0 mp0 -102.83 125.0 49.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.718 -1.128 . . . . 0.0 109.637 175.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.9 t -87.48 130.8 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.61 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -137.69 160.49 39.06 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.523 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.493 HG21 ' H ' ' A' ' 76' ' ' ASP . 4.4 p -139.4 141.44 35.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.61 31.79 3.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.152 -176.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.493 ' H ' HG21 ' A' ' 74' ' ' VAL . 25.6 t70 56.46 -105.98 0.3 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.668 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.412 HD12 ' C ' ' A' ' 76' ' ' ASP . 6.1 mp -140.52 -51.86 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 110.344 175.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.88 -53.15 61.52 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.453 -176.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.533 ' HG3' ' HG2' ' A' ' 23' ' ' GLU . 82.6 mm-40 -65.88 -25.67 67.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.487 -177.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.459 ' HB2' ' HG ' ' A' ' 42' ' ' SER . 9.6 m -63.43 -37.27 86.66 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.249 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -65.85 -40.17 91.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.86 0.362 . . . . 0.0 110.224 179.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.56 -39.65 91.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.836 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.7 mt -69.1 -42.54 81.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.48 177.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.405 ' HA2' HG21 ' A' ' 89' ' ' VAL . . . -64.04 -28.79 73.33 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.537 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -75.45 -40.88 56.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.95 0.405 . . . . 0.0 110.849 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -45.25 -48.37 12.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.797 -1.092 . . . . 0.0 112.326 -175.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -122.68 12.96 9.98 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.323 -178.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 50.0 t30 58.69 80.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.588 0.708 . . . . 0.0 111.949 175.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.405 HG21 ' HA2' ' A' ' 84' ' ' GLY . 4.0 t -86.39 44.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.954 175.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 62.59 12.02 5.19 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.071 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 62.6 22.84 13.57 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.35 -175.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -112.08 128.87 24.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.759 0.314 . . . . 0.0 110.729 177.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.692 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 17.1 Cg_exo -67.66 125.71 13.67 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.94 2.427 . . . . 0.0 111.536 176.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -154.39 -170.33 3.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.709 -178.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.9 m -111.48 114.81 28.17 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.542 ' O ' HG23 ' A' ' 38' ' ' VAL . 6.1 mp -103.33 127.93 50.55 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.662 0.268 . . . . 0.0 111.246 -176.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.47 HG23 HD21 ' A' ' 107' ' ' LEU . 78.4 t -80.06 127.87 39.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.159 177.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.427 ' HB3' HG23 ' A' ' 31' ' ' ILE . 79.3 m-85 -121.45 97.9 5.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.305 0.574 . . . . 0.0 110.821 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.455 HG22 ' CE1' ' A' ' 68' ' ' PHE . 50.2 p -131.95 169.97 15.55 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 178.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 71.21 5.16 5.35 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.685 0.615 . . . . 0.0 109.945 -177.098 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 63.6 27.85 71.6 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -166.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -134.57 174.17 10.85 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 121.031 0.443 . . . . 0.0 110.729 -173.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 64.6 tp -91.38 108.66 20.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.022 176.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 104' ' ' ARG . 3.3 mmp_? -76.08 -61.03 2.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.145 0.498 . . . . 0.0 109.662 176.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 158.34 -179.6 33.91 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.679 -0.692 . . . . 0.0 112.253 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.411 ' HB1' ' HG ' ' A' ' 96' ' ' LEU . . . -101.17 140.96 34.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.667 0.27 . . . . 0.0 110.971 -178.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.47 HD21 HG23 ' A' ' 97' ' ' VAL . 4.0 mm? -115.56 156.9 24.92 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.403 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 30.9 t -136.26 139.32 42.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.745 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -81.22 87.47 1.37 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.116 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 41.8 mm -78.54 -41.98 25.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.104 0.478 . . . . 0.0 110.345 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.425 ' HB3' ' HD2' ' A' ' 112' ' ' PRO . 40.1 m80 -146.5 166.24 17.33 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.422 179.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' A' ' 111' ' ' HIS . 26.5 Cg_endo -64.16 86.52 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 121.988 1.792 . . . . 0.0 110.686 169.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.923 ' HA ' HD11 ' A' ' 116' ' ' LEU . 0.0 OUTLIER 70.54 -97.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.116 -173.81 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 49.69 -86.96 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -74.81 -21.64 59.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.884 -176.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.923 HD11 ' HA ' ' A' ' 113' ' ' TRP . 37.0 mt -55.46 -31.71 62.17 Favored 'General case' 0 C--O 1.224 -0.258 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -177.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.543 HD21 ' HD1' ' A' ' 113' ' ' TRP . 3.9 mm? -53.58 -47.77 69.82 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.937 0.398 . . . . 0.0 111.404 179.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 25.3 m -75.42 -34.5 61.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.77 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.43 HD11 HD23 ' A' ' 116' ' ' LEU . 96.8 mt -64.32 -46.91 81.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.543 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.479 ' HA ' ' HE1' ' A' ' 120' ' ' MET . 0.0 OUTLIER -56.75 -47.96 78.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.344 179.445 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.538 ' O ' ' HD3' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -63.57 -40.75 97.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.893 0.377 . . . . 0.0 110.389 -177.204 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 8.5 t -69.08 -40.96 78.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.959 -177.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.562 HG23 HG11 ' A' ' 124' ' ' VAL . 75.8 mt -77.28 -49.39 22.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.814 0.34 . . . . 0.0 111.255 -178.09 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.7 HG13 ' HZ ' ' A' ' 68' ' ' PHE . 6.3 m -135.04 77.91 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.368 0.604 . . . . 0.0 111.774 -174.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.7 t70 . . . . . 0 N--CA 1.466 0.355 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.35 176.377 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.609 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 59.3 tp . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.407 0.146 . . . . 0.0 110.718 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.556 ' CZ3' ' HG3' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -56.82 -37.15 70.81 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.226 -179.008 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -56.76 -44.16 81.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.05 0.452 . . . . 0.0 110.569 178.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -73.48 -31.74 63.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.918 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 58.9 mt -68.78 -42.9 76.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.716 -178.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.9 mp -62.18 -25.99 68.09 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.905 0.383 . . . . 0.0 110.882 174.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.5 m -72.79 -56.43 5.25 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 178.94 133.53 0.08 Allowed 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.609 175.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 148.23 -97.21 0.18 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.096 178.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.468 ' CH2' ' HB ' ' A' ' 58' ' ' ILE . 38.1 m0 -92.32 116.02 28.6 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 178.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.464 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 0.9 OUTLIER -88.39 131.22 42.93 Favored Pre-proline 0 C--N 1.315 -0.922 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.366 178.843 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.63 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 26.6 Cg_exo -62.44 106.3 0.48 Allowed 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.768 2.312 . . . . 0.0 112.277 -178.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.9 m -87.74 175.26 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.944 179.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.511 ' HG2' ' HB3' ' A' ' 79' ' ' GLN . 0.2 OUTLIER -153.01 178.46 9.68 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.305 -173.882 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.429 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -83.0 -34.97 26.22 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.397 0.618 . . . . 0.0 109.742 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.8 m -63.92 -30.97 72.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.096 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.2 t -121.5 16.66 11.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.673 -175.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.497 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 14.0 p -67.61 -42.22 86.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.739 0.304 . . . . 0.0 110.194 -179.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -58.06 -43.85 87.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.158 0.504 . . . . 0.0 110.665 177.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -64.25 -50.68 67.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.012 -176.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.486 ' O ' HG23 ' A' ' 34' ' ' VAL . 84.6 t90 -61.45 -44.33 97.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.981 -176.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 27' ' ' VAL . 88.6 mt -59.55 -42.78 89.19 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.084 0 CA-C-O 120.89 0.376 . . . . 0.0 110.69 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -69.79 -36.49 75.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.225 0.536 . . . . 0.0 110.966 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.474 ' HD2' ' HA ' ' A' ' 33' ' ' ARG . 9.8 mmm180 -71.17 -44.73 64.91 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.497 -174.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 30' ' ' TRP . 34.7 m -90.45 -39.75 12.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.582 -178.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.64 -54.27 3.77 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.412 -0.423 . . . . 0.0 112.356 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -122.87 123.6 41.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.862 0.363 . . . . 0.0 110.349 -177.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 172.46 -164.67 37.03 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.279 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.567 HG11 ' HA ' ' A' ' 97' ' ' VAL . 23.1 m -141.25 144.75 25.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.57 0.224 . . . . 0.0 110.805 -179.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.487 HG22 HD11 ' A' ' 41' ' ' LEU . 2.0 mp -104.72 112.33 37.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 173.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.8 tt -87.09 104.52 16.41 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 175.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.487 HD11 HG22 ' A' ' 39' ' ' ILE . 11.0 mp -62.01 128.65 37.18 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.563 0.22 . . . . 0.0 111.321 -176.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.514 ' HA ' HE22 ' A' ' 79' ' ' GLN . 83.8 p . . . . . 0 N--CA 1.467 0.42 0 C-N-CA 123.617 0.767 . . . . 0.0 111.92 -175.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 CA--C 1.531 0.234 0 CA-C-O 121.069 0.462 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 72.8 mtm -59.21 -34.29 71.99 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.896 -178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.468 ' HB ' ' CH2' ' A' ' 19' ' ' TRP . 4.2 mp -68.78 -25.11 29.69 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-O 121.155 0.502 . . . . 0.0 110.65 -177.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.91 -46.77 70.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.564 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -71.78 -30.46 65.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.738 178.153 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 49.9 tp -52.33 -47.56 65.95 Favored 'General case' 0 CA--C 1.518 -0.274 0 O-C-N 123.723 0.64 . . . . 0.0 110.308 176.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.483 ' HA ' ' HE1' ' A' ' 70' ' ' TRP . 4.4 tt -54.76 -49.5 70.7 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.847 -1.07 . . . . 0.0 110.308 177.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -63.12 -50.13 71.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.675 -174.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 12.0 pt-20 -92.39 25.01 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -172.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.466 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 2.5 t80 -84.91 107.8 12.9 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 174.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 65' ' ' PHE . 2.7 Cg_endo -81.3 3.08 8.1 Favored 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 123.266 2.644 . . . . 0.0 113.136 -173.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.403 ' HG3' HG21 ' A' ' 124' ' ' VAL . 15.1 mm100 -87.75 -60.15 2.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.873 -178.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -161.15 -164.85 1.23 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.951 -176.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -116.0 148.71 39.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.739 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.483 ' HE1' ' HA ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -155.12 162.3 41.03 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.691 -177.803 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -101.17 116.2 32.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.971 0.415 . . . . 0.0 110.784 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 90.3 t -91.35 133.73 32.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.902 0.382 . . . . 0.0 110.68 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -131.21 150.72 52.03 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.133 177.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.63 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 7.9 p -118.04 144.48 25.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.156 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.448 ' HB1' ' CD ' ' A' ' 79' ' ' GLN . . . -87.12 156.44 19.71 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.688 0.28 . . . . 0.0 111.569 -174.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -64.4 -92.84 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.229 -174.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.618 ' N ' HE21 ' A' ' 79' ' ' GLN . 56.3 tp -152.2 -75.7 0.13 Allowed 'General case' 0 C--O 1.234 0.24 0 O-C-N 121.838 -0.539 . . . . 0.0 111.881 -177.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -61.57 -29.38 69.98 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 123.14 0.576 . . . . 0.0 111.582 -175.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.618 HE21 ' N ' ' A' ' 77' ' ' LEU . 1.9 pp0? -52.25 -27.95 16.85 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -177.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.8 t -50.9 -34.95 30.53 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 123.342 0.401 . . . . 0.0 111.287 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -63.21 -51.6 65.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.631 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.62 -42.69 34.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.846 -175.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 47.8 mt -59.1 -44.39 91.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.833 0.349 . . . . 0.0 111.0 -178.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.22 -35.95 92.62 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.401 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -78.75 -35.47 44.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.982 0.42 . . . . 0.0 110.678 -177.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -45.06 -52.57 8.86 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.463 -177.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -120.85 15.16 11.72 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.526 -0.469 . . . . 0.0 111.289 -177.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 63.27 80.72 0.22 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.821 -1.081 . . . . 0.0 112.564 172.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.3 t -103.51 10.16 8.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 170.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.8 ttp180 68.8 18.79 8.56 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 114.695 -1.139 . . . . 0.0 109.627 -174.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? 60.05 78.55 0.27 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.239 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.437 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 79.2 t80 -148.81 134.46 9.65 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.085 -175.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 92' ' ' PHE . 15.5 Cg_exo -68.28 115.98 4.13 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.819 2.346 . . . . 0.0 112.408 178.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -161.58 -177.81 6.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.087 178.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.5 m -110.3 117.49 33.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.556 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.798 HD11 ' HB2' ' A' ' 106' ' ' ALA . 1.0 OUTLIER -91.58 137.14 32.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.794 177.853 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.567 ' HA ' HG11 ' A' ' 38' ' ' VAL . 48.2 t -96.12 122.54 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 -176.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.448 ' CE1' HD13 ' A' ' 39' ' ' ILE . 90.5 m-85 -122.46 104.48 9.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.031 -178.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.494 ' O ' ' HB2' ' A' ' 100' ' ' ASP . 82.6 p -123.9 155.65 37.71 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 172.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.494 ' HB2' ' O ' ' A' ' 99' ' ' THR . 15.2 m-20 69.29 14.21 8.55 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 123.293 0.37 . . . . 0.0 110.464 -177.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 69.74 19.84 75.33 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 -172.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -134.29 147.75 50.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.837 0.351 . . . . 0.0 110.952 -175.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.464 HD12 HD12 ' A' ' 96' ' ' LEU . 54.5 tp -69.56 122.83 19.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.987 0.422 . . . . 0.0 110.372 177.246 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.494 ' HB3' HD13 ' A' ' 123' ' ' ILE . 35.9 mmt180 -103.99 -31.31 9.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.768 -177.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 170.21 -163.91 37.24 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.567 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.798 ' HB2' HD11 ' A' ' 96' ' ' LEU . . . -149.21 162.44 40.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.549 0.174 . . . . 0.0 110.754 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.51 HD13 HD12 ' A' ' 119' ' ' LEU . 4.4 mm? -85.39 94.24 8.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.948 0.404 . . . . 0.0 111.26 179.02 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.7 m -105.35 139.2 40.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.507 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 113.65 171.2 17.58 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.898 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 56.7 mt -124.22 89.85 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.159 0.504 . . . . 0.0 109.728 177.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.621 ' HB3' ' HB2' ' A' ' 114' ' ' ALA . 5.6 m80 -147.95 148.06 28.72 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.271 -178.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -83.01 90.44 1.02 Allowed 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.842 2.362 . . . . 0.0 111.707 176.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 4.5 t-105 74.77 -11.87 1.0 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.311 0.644 . . . . 0.0 111.08 176.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.621 ' HB2' ' HB3' ' A' ' 111' ' ' HIS . . . -73.74 -19.07 60.9 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -176.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.536 ' HG3' ' HB2' ' A' ' 111' ' ' HIS . 0.0 OUTLIER -87.29 -36.57 17.82 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.468 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.453 HD23 HD12 ' A' ' 107' ' ' LEU . 45.7 mt -57.66 -37.16 72.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.863 173.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.67 -57.22 11.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.831 -178.242 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.9 m -69.42 -39.03 78.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.28 -176.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.51 HD12 HD13 ' A' ' 107' ' ' LEU . 90.9 mt -66.05 -40.14 90.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.718 0.294 . . . . 0.0 110.729 -179.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 55.5 ttp -58.13 -43.01 87.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.35 176.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 -58.9 -45.32 90.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.348 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 39.3 m -74.63 -44.5 50.22 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -177.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.494 HD13 ' HB3' ' A' ' 104' ' ' ARG . 43.4 mm -81.38 -42.97 20.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -171.087 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.403 HG21 ' HG3' ' A' ' 67' ' ' GLN . 15.7 m -123.41 74.36 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 122.258 1.028 . . . . 0.0 111.016 -175.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.3 t70 . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 114.338 -1.301 . . . . 0.0 110.955 179.797 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.5 mt . . . . . 0 C--O 1.233 0.23 0 CA-C-O 120.9 0.381 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 23.4 t-105 -66.93 -28.23 68.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.631 -176.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -55.9 -40.97 73.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.251 0.548 . . . . 0.0 110.765 177.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -66.19 -39.04 89.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.145 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 70.5 mt -69.28 -43.25 74.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.766 -178.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.3 mt -59.82 -33.02 71.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.835 177.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.0 m -70.12 -27.21 64.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.897 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.589 ' HA ' ' NE ' ' A' ' 17' ' ' ARG . 1.8 mmp_? -93.85 -1.14 55.28 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.96 13.53 46.01 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.725 -0.75 . . . . 0.0 113.595 173.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.471 ' CZ3' HG11 ' A' ' 74' ' ' VAL . 14.0 m0 -73.15 123.27 23.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 117.016 0.408 . . . . 0.0 110.68 178.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.447 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 64.3 tt0 -110.26 131.27 22.11 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.661 -177.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.552 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 3.5 Cg_exo -77.47 131.32 11.47 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.994 2.463 . . . . 0.0 111.95 176.311 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.406 HG12 ' HB2' ' A' ' 73' ' ' ALA . 10.6 m -121.89 -179.21 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.139 0.495 . . . . 0.0 112.119 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -142.81 175.96 9.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.409 -177.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.551 ' HB2' ' HB2' ' A' ' 86' ' ' ARG . . . -83.94 -21.37 31.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.07 178.193 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 m -79.8 -42.48 24.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.162 0.506 . . . . 0.0 111.022 -177.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.2 t -96.63 5.1 51.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.57 -175.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 24' ' ' ALA . 14.6 p -63.09 -40.06 87.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 120.627 0.251 . . . . 0.0 110.787 -176.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -60.59 -41.83 95.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.286 0.565 . . . . 0.0 110.599 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.526 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 28.0 t70 -77.49 -39.61 45.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.094 -175.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.483 ' O ' HG23 ' A' ' 34' ' ' VAL . 68.5 t90 -64.45 -48.25 76.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.169 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.418 HD12 ' CD1' ' A' ' 39' ' ' ILE . 30.8 mm -60.16 -47.06 93.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.931 -177.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.526 ' HE3' ' HA ' ' A' ' 29' ' ' ASP . 20.6 pttp -67.98 -33.13 74.04 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.308 -176.097 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.8 ttm-85 -72.96 -47.41 45.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.381 . . . . 0.0 110.956 -177.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.524 ' HB ' ' NE2' ' A' ' 71' ' ' GLN . 23.6 m -81.03 -34.33 13.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.24 -177.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.12 -52.71 4.75 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.025 177.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -123.06 120.29 32.87 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.906 0.384 . . . . 0.0 110.004 -177.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.74 173.68 46.26 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 121.132 -0.556 . . . . 0.0 111.877 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.531 HG13 ' HA ' ' A' ' 97' ' ' VAL . 18.1 m -132.91 141.05 45.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 O-C-N 122.728 -0.278 . . . . 0.0 110.867 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.468 HD13 ' CE1' ' A' ' 98' ' ' PHE . 2.2 mp -107.8 114.68 47.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -96.29 118.78 33.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.484 177.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.0 mp -79.96 119.12 22.38 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 175.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.2 m . . . . . 0 N--CA 1.465 0.321 0 O-C-N 123.732 0.645 . . . . 0.0 111.104 -175.65 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.5 t . . . . . 0 N--CA 1.467 0.404 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.496 ' SD ' HD11 ' A' ' 107' ' ' LEU . 46.2 ttm -63.85 -43.97 94.54 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -170.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.4 mp -56.19 -49.69 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-O 120.654 0.264 . . . . 0.0 111.376 -177.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.38 -42.86 95.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.23 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -69.06 -43.11 75.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.891 -177.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.435 HD13 HD13 ' A' ' 116' ' ' LEU . 16.5 tp -64.1 -40.62 96.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.048 -177.314 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 68.5 tp -48.43 -39.04 21.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.811 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.37 20.77 18.48 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.602 -176.124 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -128.57 -19.71 3.72 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.4 112.51 15.1 Favored Pre-proline 0 N--CA 1.464 0.247 0 CA-C-O 120.794 0.33 . . . . 0.0 111.504 -176.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -96.34 13.51 1.06 Allowed 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 123.447 2.765 . . . . 0.0 112.849 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -92.21 -58.86 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.175 -177.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -155.49 169.37 24.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.955 -175.267 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -99.41 118.96 37.19 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 177.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -120.09 157.09 29.69 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.929 0.395 . . . . 0.0 110.69 177.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.524 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 2.1 mp0 -91.6 129.08 37.64 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.478 -178.057 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 91.9 t -88.87 116.55 30.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.23 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.406 ' HB2' HG12 ' A' ' 22' ' ' VAL . . . -123.59 133.71 53.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.441 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.552 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 10.4 m -129.49 156.49 41.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 -178.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.454 ' HB3' ' HB3' ' A' ' 79' ' ' GLN . . . -120.6 153.87 36.21 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -173.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -66.25 162.63 19.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.834 174.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.9 tt -56.25 -40.28 73.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.973 0.416 . . . . 0.0 110.48 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -68.68 -43.6 75.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.794 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.454 ' HB3' ' HB3' ' A' ' 75' ' ' ALA . 1.6 mp0 -62.95 -30.19 71.38 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.264 178.096 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.7 m -55.47 -48.28 74.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.348 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -72.13 -33.56 67.89 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.325 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.47 -44.77 93.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.556 177.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.533 ' HA ' ' HB1' ' A' ' 24' ' ' ALA . 67.8 mt -68.02 -40.77 83.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.246 177.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.17 -39.53 96.02 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.654 175.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -60.49 -39.6 88.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.151 0.5 . . . . 0.0 111.283 177.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.551 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -50.09 -46.37 53.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.585 179.344 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.505 ' CD1' ' HB ' ' A' ' 89' ' ' VAL . 7.6 p90 -109.98 14.0 23.19 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.5 t30 63.25 30.8 15.76 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 122.877 0.471 . . . . 0.0 111.544 172.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.505 ' HB ' ' CD1' ' A' ' 87' ' ' PHE . 98.4 t -134.59 115.9 20.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 122.091 -0.381 . . . . 0.0 110.802 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.9 ttp180 -117.43 29.92 7.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.511 0.672 . . . . 0.0 109.347 177.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -80.09 89.89 5.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.945 -178.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 71.35 155.3 0.15 Allowed Pre-proline 0 N--CA 1.468 0.467 0 O-C-N 123.884 0.74 . . . . 0.0 112.101 176.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -77.73 102.0 1.54 Allowed 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.571 2.181 . . . . 0.0 110.714 171.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -119.43 174.77 6.18 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.271 -175.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.6 m -117.5 117.06 28.42 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.4 mp -91.93 135.05 34.24 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.079 -178.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.531 ' HA ' HG13 ' A' ' 38' ' ' VAL . 48.9 t -96.79 118.31 42.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.068 -176.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.491 ' CE2' HD12 ' A' ' 103' ' ' LEU . 37.9 m-85 -116.23 118.0 31.59 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.56 178.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.1 p -139.66 151.72 46.17 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.3 t70 72.23 3.7 4.77 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.851 0.834 . . . . 0.0 110.378 -177.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.29 0.83 79.57 Favored Glycine 0 N--CA 1.443 -0.887 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.969 -173.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -120.29 159.97 23.93 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 121.248 0.547 . . . . 0.0 111.704 178.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.491 HD12 ' CE2' ' A' ' 98' ' ' PHE . 52.6 tp -82.01 127.71 33.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.26 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.555 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 1.2 mmp_? -91.35 -41.46 10.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.56 179.005 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 161.0 -172.61 37.31 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.152 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -103.87 137.72 41.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.909 0.385 . . . . 0.0 110.84 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.496 HD11 ' SD ' ' A' ' 57' ' ' MET . 1.3 tm? -92.0 115.19 27.85 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 25.0 m -152.85 163.45 39.73 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.802 ' HA3' ' HG3' ' A' ' 115' ' ' GLU . . . -179.57 175.73 47.14 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.011 179.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 40.7 pt -101.64 -8.37 9.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.191 0.519 . . . . 0.0 110.74 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -110.97 143.02 27.43 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.826 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.19 -32.93 97.97 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.71 2.274 . . . . 0.0 112.196 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 16.2 t-105 -161.57 107.0 1.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.286 177.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 179.9 -34.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.279 0.561 . . . . 0.0 110.069 178.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.802 ' HG3' ' HA3' ' A' ' 109' ' ' GLY . 1.5 mm-40 -59.87 -30.67 69.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.247 -173.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.435 HD13 HD13 ' A' ' 61' ' ' LEU . 73.2 mt -57.4 -35.52 70.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.371 -176.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.23 -36.05 76.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.74 0.305 . . . . 0.0 111.49 -173.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.3 m -87.3 -40.97 14.02 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.791 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.538 ' O ' HG12 ' A' ' 123' ' ' ILE . 95.6 mt -67.62 -49.52 62.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 112.014 -175.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 62.8 mtm -58.35 -35.49 72.01 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 111.449 0.166 . . . . 0.0 111.449 -174.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 121' ' ' ARG . 41.5 mtt180 -56.1 -53.9 51.5 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.902 0.382 . . . . 0.0 111.705 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.3 t -70.62 -30.34 66.97 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.117 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.538 HG12 ' O ' ' A' ' 119' ' ' LEU . 39.6 mm -70.04 -48.87 60.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.475 -178.227 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.527 HG13 HG21 ' A' ' 123' ' ' ILE . 5.3 m -133.11 75.66 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.392 0.615 . . . . 0.0 111.551 -177.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 13.6 t70 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.501 175.582 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.02 -171.23 0.17 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.378 -177.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -151.52 -176.81 5.75 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 177.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -67.78 -82.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 123.206 0.316 . . . . 0.0 111.364 -178.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 56.4 m 62.25 94.39 0.05 OUTLIER Pre-proline 0 CA--C 1.534 0.334 0 O-C-N 123.369 0.418 . . . . 0.0 111.029 -177.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -62.82 94.78 0.15 Allowed 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.684 2.256 . . . . 0.0 112.396 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 12.2 t80 63.13 -152.49 0.33 Allowed 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.203 176.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.5 m 69.72 -83.92 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.268 0.627 . . . . 0.0 111.872 176.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.08 -31.1 70.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.961 0.41 . . . . 0.0 111.303 -174.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.95 -29.41 70.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.032 -178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -60.64 -38.98 86.61 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.949 -177.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -68.31 -41.73 80.45 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.201 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -74.67 -31.31 61.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.46 -176.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.6 pp -74.71 -30.68 61.62 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.267 0.556 . . . . 0.0 110.073 177.235 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.461 ' N ' HD12 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -60.21 -25.71 65.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.992 -1.003 . . . . 0.0 110.391 175.692 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.3 m -64.08 -26.31 68.49 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.023 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -142.15 102.26 4.08 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.126 0.788 . . . . 0.0 113.126 -175.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.14 -37.81 3.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.96 -0.638 . . . . 0.0 113.586 168.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.627 ' HH2' ' HB2' ' A' ' 55' ' ' PRO . 12.6 m95 -92.29 140.63 29.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.018 0.437 . . . . 0.0 111.491 -176.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.456 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 35.9 tt0 -151.69 127.9 5.17 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.615 176.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.59 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 3.0 Cg_exo -74.64 116.74 4.7 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.568 2.179 . . . . 0.0 111.497 178.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.466 ' CG1' ' HB2' ' A' ' 73' ' ' ALA . 16.6 m -109.37 -170.39 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.742 -176.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.48 ' HB2' HG21 ' A' ' 26' ' ' THR . 32.0 mt-10 -141.92 -170.44 3.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.148 -171.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.442 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -106.29 -50.59 3.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.586 0.232 . . . . 0.0 111.605 -177.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.5 m -72.09 1.21 7.8 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -175.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.48 HG21 ' HB2' ' A' ' 23' ' ' GLU . 9.7 t -137.08 13.58 3.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.814 0.34 . . . . 0.0 110.884 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 24' ' ' ALA . 10.8 p -73.14 -35.13 46.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.598 -177.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.25 -48.8 67.93 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.178 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -68.61 -35.0 76.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -177.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.44 ' O ' HG21 ' A' ' 34' ' ' VAL . 81.8 t90 -62.09 -49.43 75.98 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.043 0.449 . . . . 0.0 110.084 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 48.6 mt -61.78 -43.28 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.344 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 tmmm? -62.45 -38.45 89.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.724 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -68.14 -46.27 71.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.006 -173.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.44 HG21 ' O ' ' A' ' 30' ' ' TRP . 33.9 m -93.29 -42.28 13.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.56 -175.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.79 6.38 67.02 Favored Glycine 0 CA--C 1.516 0.11 0 CA-C-N 116.295 -0.411 . . . . 0.0 113.137 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -160.75 104.33 1.37 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -175.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.529 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . 167.79 -174.63 42.79 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.611 -178.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.549 HG12 ' HA ' ' A' ' 97' ' ' VAL . 27.1 m -135.18 148.75 28.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.507 0.194 . . . . 0.0 110.926 -177.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 mp -109.16 120.46 60.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 172.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 tt -95.44 118.71 32.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.762 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.554 HD11 HD21 ' A' ' 96' ' ' LEU . 10.5 mp -81.52 139.73 34.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.264 178.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.434 ' HB2' ' HB2' ' A' ' 80' ' ' SER . 5.1 m -59.92 146.64 41.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.008 178.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.973 ' HA ' ' HB3' ' A' ' 93' ' ' PRO . 15.1 m -59.88 103.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -176.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.35 156.04 77.81 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.501 169.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -46.35 103.98 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.249 2.632 . . . . 0.0 112.883 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -99.29 0.69 43.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.466 -175.685 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.426 ' HB2' ' O ' ' A' ' 46' ' ' ARG . 93.2 mtt180 68.51 -171.85 0.18 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.22 -171.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 45.9 m 69.66 97.81 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 O-C-N 123.629 0.581 . . . . 0.0 109.94 -175.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -60.66 137.32 72.58 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.641 2.227 . . . . 0.0 112.195 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 64.21 -167.94 0.21 Allowed 'General case' 0 N--CA 1.463 0.202 0 O-C-N 123.795 0.685 . . . . 0.0 111.404 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.9 t 59.87 77.2 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-O 121.376 0.608 . . . . 0.0 111.068 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.5 m -72.24 120.54 17.99 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.245 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -63.49 129.0 38.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.977 177.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.49 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 49.8 m-80 -79.79 123.41 83.88 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.673 -177.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.627 ' HB2' ' HH2' ' A' ' 19' ' ' TRP . 5.7 Cg_exo -78.97 10.14 3.04 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 123.355 2.704 . . . . 0.0 112.039 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.1 t -66.69 -26.39 37.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.28 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.8 mtt -56.62 -37.26 70.47 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.479 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.6 mp -65.86 -41.31 89.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-O 121.062 0.458 . . . . 0.0 109.932 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.482 ' O ' ' HD3' ' A' ' 63' ' ' ARG . . . -65.66 -36.16 82.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.209 177.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.578 ' HA ' ' NH1' ' A' ' 63' ' ' ARG . 8.3 tp10 -62.06 -54.26 43.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.671 176.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -53.73 -44.41 69.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.588 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.495 HD11 HG22 ' A' ' 72' ' ' VAL . 55.3 tp -47.94 -47.86 32.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.063 -178.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.578 ' NH1' ' HA ' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -83.53 -26.3 30.26 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -177.586 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.411 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 6.0 mm-40 -81.98 1.85 33.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.807 0.336 . . . . 0.0 111.326 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -97.77 105.57 27.86 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.253 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 96.5 Cg_endo -90.43 -0.34 5.3 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 122.961 2.441 . . . . 0.0 113.286 -176.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.1 -68.92 0.45 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -177.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.56 ' HD1' ' H ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -137.51 163.44 31.13 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.09 -177.288 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -102.26 80.17 1.93 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.537 -174.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.529 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -89.29 167.01 13.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.046 179.72 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.406 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 39.1 mt-30 -115.75 143.63 45.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.599 -175.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.495 HG22 HD11 ' A' ' 62' ' ' LEU . 64.6 t -103.06 101.73 12.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.333 0.587 . . . . 0.0 111.166 -176.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.466 ' HB2' ' CG1' ' A' ' 22' ' ' VAL . . . -96.17 126.19 41.21 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.449 176.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.59 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 29.5 m -118.89 148.88 21.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-O 120.846 0.355 . . . . 0.0 111.085 -174.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.554 ' HB1' ' HB2' ' A' ' 79' ' ' GLN . . . -95.76 139.24 32.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.077 176.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.442 ' OD1' HD21 ' A' ' 77' ' ' LEU . 5.7 t70 -61.97 -71.67 0.15 Allowed 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.433 0.458 . . . . 0.0 110.829 -175.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.513 ' HG ' ' N ' ' A' ' 78' ' ' GLU . 2.3 pt? -154.52 -65.31 0.13 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.726 174.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.513 ' N ' ' HG ' ' A' ' 77' ' ' LEU . 40.1 tt0 -65.36 -32.5 74.17 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.062 0.458 . . . . 0.0 110.927 -177.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.554 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . 8.6 mm100 -54.83 -30.0 56.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.381 -177.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.434 ' HB2' ' HB2' ' A' ' 42' ' ' SER . 17.7 t -56.23 -40.55 74.27 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.567 -176.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.8 ' HA ' ' HD3' ' A' ' 90' ' ' ARG . 35.6 tt0 -63.2 -47.46 82.49 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.726 -176.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.45 -43.64 85.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.954 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 67.8 mt -65.4 -49.1 80.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.544 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.557 ' HA3' ' HB2' ' A' ' 90' ' ' ARG . . . -65.59 -32.09 82.13 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.834 -178.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -71.15 -39.68 71.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.197 0.523 . . . . 0.0 110.198 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -49.51 -40.13 36.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.702 -1.135 . . . . 0.0 112.619 -175.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.426 ' HD1' HG21 ' A' ' 89' ' ' VAL . 2.0 p90 -123.14 14.82 9.82 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 59.5 t30 56.75 73.77 0.44 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.562 -0.744 . . . . 0.0 112.072 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.629 HG23 HD12 ' A' ' 96' ' ' LEU . 79.5 t -136.76 -17.31 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.274 176.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.8 ' HD3' ' HA ' ' A' ' 81' ' ' GLU . 53.1 ttp85 -63.71 117.98 7.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.121 0.486 . . . . 0.0 111.019 -175.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -178.0 -35.45 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -150.94 152.14 31.13 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 114.815 -1.084 . . . . 0.0 108.962 176.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.973 ' HB3' ' HA ' ' A' ' 43' ' ' SER . 15.6 Cg_endo -58.63 114.77 2.13 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.652 2.235 . . . . 0.0 111.947 179.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.81 163.8 32.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.3 m -118.79 124.08 46.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.038 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.691 HD13 ' HB3' ' A' ' 106' ' ' ALA . 1.9 mm? -89.58 133.77 34.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.697 0.284 . . . . 0.0 110.31 -176.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.549 ' HA ' HG12 ' A' ' 38' ' ' VAL . 42.1 t -98.58 114.84 37.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.676 -175.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -108.56 101.25 10.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.242 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.7 p -112.66 138.15 49.88 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.968 -178.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.7 t70 70.88 12.49 7.11 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.676 0.61 . . . . 0.0 110.279 -178.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.07 5.26 86.06 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.969 -174.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -122.35 147.02 46.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.159 0.504 . . . . 0.0 111.609 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 55.8 tp -77.28 123.28 26.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.835 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.599 ' NE ' ' HA ' ' A' ' 104' ' ' ARG . 4.1 mmp_? -119.88 -40.89 2.7 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -178.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -150.51 -171.21 18.55 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.062 -1.066 . . . . 0.0 112.605 -177.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.691 ' HB3' HD13 ' A' ' 96' ' ' LEU . . . -154.08 147.4 24.88 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.811 0.338 . . . . 0.0 110.564 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -98.98 120.32 39.23 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.718 ' HB2' HD13 ' A' ' 110' ' ' ILE . 10.5 p -91.12 -39.94 11.87 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -173.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 82.22 36.91 16.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.112 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.718 HD13 ' HB2' ' A' ' 108' ' ' SER . 1.7 mp -93.17 -39.75 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -116.18 101.18 53.92 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 177.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -44.1 109.3 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 124.118 3.212 . . . . 0.0 114.07 -172.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.716 ' HA ' HD11 ' A' ' 116' ' ' LEU . 6.3 t-105 72.0 -37.76 0.4 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 114.691 -1.141 . . . . 0.0 112.924 173.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.13 -36.23 67.99 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.796 0.331 . . . . 0.0 111.83 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -77.9 -18.07 56.57 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.86 -177.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.716 HD11 ' HA ' ' A' ' 113' ' ' TRP . 24.7 mt -63.72 -37.26 86.7 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 175.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.5 ' O ' ' HB2' ' A' ' 121' ' ' ARG . 79.7 mt -71.7 -41.92 68.02 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.157 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.0 m -81.98 -44.09 17.16 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -175.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 86.3 mt -73.42 -48.93 29.88 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 122.381 -0.2 . . . . 0.0 111.514 -175.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 25.8 mmt -64.49 -31.25 72.39 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.185 -0.206 . . . . 0.0 111.02 -177.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.5 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 2.9 tmt_? -58.97 -35.89 73.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.355 0.598 . . . . 0.0 109.97 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 26.3 t -76.31 -30.63 57.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 62.8 mt -83.29 -46.3 18.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.133 0.492 . . . . 0.0 110.81 -176.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.1 m -125.98 87.4 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-O 121.991 0.9 . . . . 0.0 109.332 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -48.55 -28.99 3.76 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 113.966 -1.47 . . . . 0.0 111.991 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 22.4 m -61.37 126.83 87.28 Favored Pre-proline 0 CA--C 1.534 0.362 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.698 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -48.2 122.71 7.87 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 123.682 2.921 . . . . 0.0 112.95 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -100.84 -57.09 2.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.407 -172.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -144.38 164.12 31.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.83 -0.168 . . . . 0.0 110.963 -173.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.428 ' O ' ' HB2' ' A' ' 131' ' ' GLU . 60.0 mt-30 -139.94 90.25 2.37 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.689 ' HG2' ' H ' ' A' ' 132' ' ' THR . 28.3 tt0 177.72 173.31 0.56 Allowed 'General case' 0 C--O 1.236 0.381 0 O-C-N 123.618 0.574 . . . . 0.0 109.683 171.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.689 ' H ' ' HG2' ' A' ' 131' ' ' GLU . 20.7 m 74.48 -70.35 0.16 Allowed 'General case' 0 C--O 1.233 0.202 0 O-C-N 123.805 0.691 . . . . 0.0 111.312 175.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 34.4 t 52.05 77.42 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 121.278 0.561 . . . . 0.0 110.752 -176.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 121.097 0.475 . . . . 0.0 110.096 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.9 102.37 14.48 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.202 -176.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.441 ' HB3' ' HG3' ' A' ' 6' ' ' PRO . 57.0 m-80 -142.88 129.28 20.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.792 176.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -88.44 -63.83 1.24 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.74 0.305 . . . . 0.0 110.571 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.5 m -154.85 89.39 3.15 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 175.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.441 ' HG3' ' HB3' ' A' ' 3' ' ' ASN . 1.1 Cg_endo -84.01 105.15 1.12 Allowed 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.996 2.464 . . . . 0.0 112.92 -176.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 55.26 30.71 15.17 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 170.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.3 m 58.84 32.25 22.05 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 123.281 0.363 . . . . 0.0 111.644 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.03 -28.37 24.12 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.071 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.54 -40.39 87.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.094 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.515 ' HZ3' HD13 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -64.99 -32.58 74.38 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-O 121.171 0.51 . . . . 0.0 109.961 -179.583 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -78.08 -38.89 43.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.045 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -73.89 -28.63 61.65 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -176.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 pp -69.79 -26.91 64.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.379 0.609 . . . . 0.0 110.04 176.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.515 HD13 ' HZ3' ' A' ' 11' ' ' TRP . 86.2 mt -74.25 -27.59 60.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.995 175.123 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 43.6 m -56.45 -43.01 79.1 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.394 -176.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -163.47 106.97 1.01 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.816 178.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.16 -64.77 0.58 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.508 -0.853 . . . . 0.0 113.069 175.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -91.58 167.36 12.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.218 0.532 . . . . 0.0 111.076 -173.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.401 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 26.8 tt0 -156.85 135.79 7.89 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.299 176.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.722 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 11.8 Cg_exo -72.65 124.74 10.0 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.342 2.028 . . . . 0.0 111.264 176.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.473 HG13 ' HB3' ' A' ' 73' ' ' ALA . 14.6 m -93.42 -177.38 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.36 -178.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.567 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -141.93 -170.02 3.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.094 -175.349 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.425 ' O ' HG13 ' A' ' 27' ' ' VAL . . . -107.72 -36.0 6.53 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.179 0.514 . . . . 0.0 110.19 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.9 m -69.41 -28.45 66.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.885 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.8 t -120.48 15.92 12.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.519 -175.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.567 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 13.9 p -69.38 -35.57 67.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-O 120.904 0.383 . . . . 0.0 110.406 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -65.66 -47.24 76.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.676 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -60.17 -41.88 93.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.544 178.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.451 ' O ' HG21 ' A' ' 34' ' ' VAL . 33.4 t90 -63.9 -49.51 72.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.645 -178.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.479 HD12 ' CD1' ' A' ' 39' ' ' ILE . 29.6 mm -63.47 -39.69 86.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.91 0.386 . . . . 0.0 110.951 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.412 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -63.26 -32.82 74.32 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.667 177.173 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.22 -45.78 17.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.201 -176.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.451 HG21 ' O ' ' A' ' 30' ' ' TRP . 34.5 m -85.1 -41.43 15.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -175.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.15 -45.25 2.76 Favored Glycine 0 C--N 1.329 0.186 0 C-N-CA 121.443 -0.408 . . . . 0.0 112.641 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -122.99 104.41 9.21 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.742 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . -166.81 -165.69 24.64 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.805 -177.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 96' ' ' LEU . 2.4 p -155.14 139.89 9.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.225 0.536 . . . . 0.0 111.503 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.479 ' CD1' HD12 ' A' ' 31' ' ' ILE . 1.9 mp -109.01 115.8 50.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.757 177.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.529 ' HB3' HG21 ' A' ' 74' ' ' VAL . 2.7 tt -79.12 108.24 12.47 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 174.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.554 ' HG ' ' OG ' ' A' ' 80' ' ' SER . 9.7 tp -72.23 128.71 36.52 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.7 -177.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.588 ' HB2' ' HB3' ' A' ' 93' ' ' PRO . 21.6 m 56.97 -124.42 1.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.914 -177.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.9 t -179.77 -68.98 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -114.58 139.27 23.8 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.354 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -71.52 -22.79 24.17 Favored 'Trans proline' 0 CA--C 1.527 0.128 0 C-N-CA 122.489 2.126 . . . . 0.0 111.157 175.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.42 ' HG2' ' H ' ' A' ' 47' ' ' ARG . 36.4 ttm-85 178.23 -133.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.42 ' H ' ' HG2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -86.13 39.09 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 118.069 0.395 . . . . 0.0 109.994 176.728 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 37.9 m 23.24 91.17 0.05 OUTLIER Pre-proline 0 N--CA 1.473 0.698 0 C-N-CA 125.142 1.377 . . . . 0.0 114.284 172.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -79.8 43.87 1.6 Allowed 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 122.95 2.433 . . . . 0.0 113.128 -174.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.414 ' O ' ' HB ' ' A' ' 51' ' ' VAL . 9.4 pt-20 -153.19 28.76 0.5 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.756 178.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.414 ' HB ' ' O ' ' A' ' 50' ' ' GLU . 89.0 t 76.96 147.07 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.267 175.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 51' ' ' VAL . 50.5 m 79.74 149.51 0.1 Allowed 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.977 0.911 . . . . 0.0 111.725 177.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -124.44 32.33 5.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.876 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.439 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 24.6 t-20 -153.89 135.55 8.98 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.011 -177.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 54' ' ' ASN . 11.9 Cg_exo -71.8 59.36 2.78 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 123.345 2.696 . . . . 0.0 112.508 178.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.9 m -57.49 -28.51 31.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.598 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 95.4 mmm -53.17 -34.62 57.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.133 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.413 HD11 ' N ' ' A' ' 58' ' ' ILE . 2.9 mp -71.94 -32.78 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.93 0.395 . . . . 0.0 110.292 -179.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.52 -32.18 70.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.074 0.464 . . . . 0.0 110.19 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.59 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.9 tp10 -71.17 -43.68 67.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.343 174.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.0 tp -53.7 -41.91 67.46 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.891 177.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 63.8 tp -48.58 -47.43 39.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.951 -1.022 . . . . 0.0 112.322 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.59 ' HD3' ' OE1' ' A' ' 60' ' ' GLU . 0.8 OUTLIER -82.56 -25.84 32.95 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.212 -178.112 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.416 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 6.7 mm-40 -79.11 -10.56 59.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.44 ' HD1' ' HB2' ' A' ' 67' ' ' GLN . 0.1 OUTLIER -106.87 97.12 16.39 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.028 -178.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 96.8 Cg_endo -89.19 9.49 3.52 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.812 2.342 . . . . 0.0 111.726 178.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.44 ' HB2' ' HD1' ' A' ' 65' ' ' PHE . 14.4 mm100 -89.27 -22.3 22.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.088 -174.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -134.25 159.78 39.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.259 0.552 . . . . 0.0 112.174 -173.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.65 22.96 13.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.991 -1.004 . . . . 0.0 108.366 171.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.742 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -54.57 154.63 4.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.07 -1.423 . . . . 0.0 114.007 -172.49 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.403 HE21 ' HB2' ' A' ' 71' ' ' GLN . 1.9 mp0 -92.18 119.79 32.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.668 173.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 45.3 t -84.99 129.52 37.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.015 0.436 . . . . 0.0 110.899 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.473 ' HB3' HG13 ' A' ' 22' ' ' VAL . . . -134.46 159.4 41.22 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.673 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.722 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 7.2 p -136.04 150.09 27.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 -179.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.34 169.57 16.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.99 0.424 . . . . 0.0 111.535 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -82.72 23.25 0.82 Allowed 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.49 0.662 . . . . 0.0 110.592 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 54.9 tp 76.74 -60.1 0.48 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.393 1.077 . . . . 0.0 111.439 176.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -77.64 -45.73 24.16 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.956 0.408 . . . . 0.0 110.34 -176.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.547 ' HG2' ' HG2' ' A' ' 23' ' ' GLU . 4.1 tp-100 -54.67 -24.68 22.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.985 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.554 ' OG ' ' HG ' ' A' ' 41' ' ' LEU . 43.3 t -51.1 -36.81 42.25 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.96 178.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -62.35 -43.36 99.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.69 0.281 . . . . 0.0 110.745 -177.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.03 -33.0 74.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.847 177.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.7 mt -68.44 -49.55 64.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.345 177.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.534 ' HA2' ' CE1' ' A' ' 87' ' ' PHE . . . -63.87 -29.95 76.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.049 178.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -68.11 -38.88 82.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.166 0.508 . . . . 0.0 110.73 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.442 ' HA ' ' HE ' ' A' ' 86' ' ' ARG . 2.9 tpm_? -49.7 -48.47 49.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.876 -179.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.534 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 2.6 p90 -107.05 -0.85 22.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.623 0.249 . . . . 0.0 111.212 -178.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 50.28 69.21 0.65 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.591 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 91.6 t -130.55 94.87 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.316 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.2 mmm-85 59.94 -163.87 0.23 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.154 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 68.1 ttt180 -150.97 30.95 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.587 0.708 . . . . 0.0 109.398 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -128.58 154.21 79.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.508 -176.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.588 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 15.4 Cg_endo -57.94 119.79 7.27 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.923 2.416 . . . . 0.0 112.6 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.539 ' H ' ' HB3' ' A' ' 41' ' ' LEU . . . -145.3 172.45 13.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.981 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 35.0 m -114.04 115.62 27.88 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.501 ' O ' HG23 ' A' ' 38' ' ' VAL . 5.3 mp -105.49 127.22 52.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.87 0.367 . . . . 0.0 110.558 -178.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 81.7 t -89.75 116.87 31.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.928 -178.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.41 ' CZ ' HD11 ' A' ' 103' ' ' LEU . 45.3 m-85 -112.61 94.88 5.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.835 178.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 40.5 p -131.7 151.17 51.84 Favored 'General case' 0 C--N 1.311 -1.071 0 C-N-CA 120.881 -0.327 . . . . 0.0 110.215 -176.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.1 t70 69.7 9.4 7.17 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.776 0.673 . . . . 0.0 110.457 -177.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.77 1.8 84.9 Favored Glycine 0 N--CA 1.443 -0.847 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.454 -174.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -115.42 148.13 39.73 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 117.094 0.447 . . . . 0.0 111.809 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.439 HD13 ' HB3' ' A' ' 96' ' ' LEU . 43.1 tp -77.26 102.01 6.5 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 169.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 104' ' ' ARG . 10.6 mmm180 -74.53 -28.31 60.91 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.929 -174.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 153.08 177.71 26.92 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.392 -0.909 . . . . 0.0 112.547 178.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.411 ' HB1' ' HG ' ' A' ' 96' ' ' LEU . . . -117.86 138.55 52.03 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.831 0.348 . . . . 0.0 110.433 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -104.31 129.51 52.17 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.102 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.4 p -95.86 3.98 53.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.174 0.511 . . . . 0.0 111.527 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -80.44 71.4 2.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.874 177.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 15.3 tt -71.32 -26.93 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -175.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.688 ' HB3' ' HD3' ' A' ' 112' ' ' PRO . 7.0 t-160 -145.01 -54.06 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.487 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.379 -177.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.688 ' HD3' ' HB3' ' A' ' 111' ' ' HIS . 17.0 Cg_exo -67.96 127.0 15.34 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 122.055 1.836 . . . . 0.0 111.648 177.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -98.67 95.28 7.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.036 0.446 . . . . 0.0 110.391 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -147.88 -56.66 0.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.619 176.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -67.35 -25.98 66.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.078 -175.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 20.1 mt -54.33 -36.56 63.9 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.97 -178.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -66.91 -49.22 66.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.938 0.399 . . . . 0.0 110.095 -177.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 24.6 m -71.29 -41.83 69.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.234 -177.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.63 -40.49 88.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.936 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 43.6 ttm -56.06 -41.46 75.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.624 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 21.2 ttm-85 -54.99 -51.21 66.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.158 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.3 m -75.41 -45.53 38.34 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.332 -177.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 74.6 mt -68.26 -49.25 68.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -173.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.526 ' HB ' ' HG3' ' A' ' 127' ' ' PRO . 19.6 m -115.44 45.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.516 0.674 . . . . 0.0 110.869 -178.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -52.59 -57.02 11.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.487 173.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 55.3 m -121.19 90.65 47.57 Favored Pre-proline 0 N--CA 1.447 -0.614 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.555 175.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.526 ' HG3' ' HB ' ' A' ' 124' ' ' VAL . 23.7 Cg_endo -96.76 -78.07 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.062 0 C-N-CA 123.273 2.648 . . . . 0.0 110.785 168.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -145.47 78.14 1.54 Allowed 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 171.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . 71.72 159.52 0.21 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.246 -173.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -146.87 101.22 3.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.127 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -141.69 148.69 39.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.706 -0.225 . . . . 0.0 111.037 -175.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 24.7 m 76.47 -27.23 0.18 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.08 0.552 . . . . 0.0 112.432 172.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 13.5 p -63.34 -26.59 41.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-O 120.834 0.35 . . . . 0.0 111.652 -177.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 121.28 0.562 . . . . 0.0 110.467 -178.711 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.86 79.69 0.25 Allowed 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.408 0.623 . . . . 0.0 110.059 -175.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -138.45 -161.52 1.19 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.657 -176.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -54.66 112.69 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.026 0.441 . . . . 0.0 111.186 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 m -111.06 122.4 38.03 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.484 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.8 141.94 80.62 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.638 2.225 . . . . 0.0 111.498 176.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 40.6 t80 66.14 33.34 7.5 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.786 0.803 . . . . 0.0 110.18 -178.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.0 m -149.48 40.55 0.85 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.017 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.85 -58.0 3.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.959 0.409 . . . . 0.0 110.711 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.42 ' HG ' ' HB3' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -77.32 -30.42 54.04 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 177.295 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -54.75 -40.39 69.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.009 175.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -69.4 -34.12 74.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.738 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -64.12 -28.23 69.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.077 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.8 mt -64.07 -37.02 85.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.432 177.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mp -64.87 -24.23 67.47 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.538 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.9 m -64.69 -25.84 68.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.253 0.549 . . . . 0.0 110.279 175.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.464 ' HA ' ' NE ' ' A' ' 17' ' ' ARG . 6.9 mmp_? -106.89 -133.95 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.605 178.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.13 -124.83 1.9 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.74 175.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.5 m95 64.21 112.3 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.735 0.779 . . . . 0.0 111.617 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.95 106.98 59.73 Favored Pre-proline 0 C--N 1.317 -0.839 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.932 -178.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.598 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 31.1 Cg_exo -61.82 109.72 0.84 Allowed 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 122.868 2.379 . . . . 0.0 111.844 174.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.406 ' CG1' ' HB3' ' A' ' 73' ' ' ALA . 13.7 m -98.75 -173.66 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.88 -174.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -144.03 168.33 20.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.581 -173.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.85 -23.9 31.12 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 168.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.3 m -71.69 -23.89 61.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.155 -0.929 . . . . 0.0 111.064 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.9 p -127.07 16.1 7.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.647 -177.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.9 p -64.3 -40.38 88.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.669 0.271 . . . . 0.0 110.929 -176.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -69.66 -30.1 67.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.241 0.543 . . . . 0.0 110.186 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -78.51 -44.26 24.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.931 -177.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.438 ' CZ2' ' HB2' ' A' ' 73' ' ' ALA . 68.0 t90 -59.87 -51.42 69.8 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.772 -178.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.9 mt -57.62 -39.69 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 121.132 0.491 . . . . 0.0 110.593 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.47 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -64.29 -35.41 80.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.457 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -80.21 -45.44 18.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.804 0.335 . . . . 0.0 110.929 -176.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.418 ' HB ' ' NE2' ' A' ' 71' ' ' GLN . 33.6 m -76.03 -41.71 38.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.311 -174.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.32 -50.65 4.36 Favored Glycine 0 N--CA 1.451 -0.31 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 -177.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -127.01 142.0 51.65 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.454 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . 160.52 -163.04 33.81 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.419 178.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.458 HG21 ' O ' ' A' ' 96' ' ' LEU . 1.8 p -154.2 137.48 7.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.977 0.417 . . . . 0.0 111.779 -176.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.507 HD13 ' CE1' ' A' ' 98' ' ' PHE . 2.3 mp -103.47 120.31 53.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.676 176.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.452 HD23 ' O ' ' A' ' 42' ' ' SER . 0.5 OUTLIER -89.77 116.16 27.66 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.692 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.433 HD11 HG21 ' A' ' 39' ' ' ILE . 10.4 mp -80.63 100.5 8.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.575 0.226 . . . . 0.0 110.891 179.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.452 ' O ' HD23 ' A' ' 40' ' ' LEU . 58.3 m 59.77 174.5 0.08 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.565 -178.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.449 ' O ' ' HD3' ' A' ' 45' ' ' PRO . 21.8 m -91.76 67.38 5.35 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.318 177.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -98.64 108.38 47.98 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.367 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.449 ' HD3' ' O ' ' A' ' 43' ' ' SER . 66.4 Cg_endo -105.0 9.53 0.25 Allowed 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 123.656 2.904 . . . . 0.0 113.503 178.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.423 ' HB3' ' H ' ' A' ' 47' ' ' ARG . 1.5 mpp_? 61.2 -157.87 0.33 Allowed 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 -169.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.423 ' H ' ' HB3' ' A' ' 46' ' ' ARG . 20.3 ttp180 -105.48 106.41 16.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.456 0.646 . . . . 0.0 110.534 175.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 61.6 m -144.23 141.57 18.41 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.273 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.453 ' O ' ' HB2' ' A' ' 50' ' ' GLU . 80.1 Cg_exo -46.49 155.61 0.71 Allowed 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.916 2.41 . . . . 0.0 112.766 175.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.453 ' HB2' ' O ' ' A' ' 49' ' ' PRO . 47.3 mt-10 69.24 -148.65 0.11 Allowed 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.704 0.627 . . . . 0.0 109.474 -171.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.431 HG11 ' O ' ' A' ' 54' ' ' ASN . 96.1 t 67.81 96.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 O-C-N 123.631 0.582 . . . . 0.0 111.58 177.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.1 m -84.7 -64.86 1.08 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 175.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -145.25 18.11 1.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.815 0.817 . . . . 0.0 109.157 174.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.431 ' O ' HG11 ' A' ' 51' ' ' VAL . 4.5 p-10 -107.73 151.49 41.14 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.18 -174.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -83.12 162.78 15.47 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 122.486 2.124 . . . . 0.0 111.975 174.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.418 ' O ' ' HB3' ' A' ' 57' ' ' MET . 29.5 m -134.07 165.98 30.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.897 177.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.418 ' HB3' ' O ' ' A' ' 56' ' ' VAL . 46.2 ttm 74.82 -48.39 0.64 Allowed 'General case' 0 N--CA 1.471 0.602 0 O-C-N 123.83 0.706 . . . . 0.0 111.734 177.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.416 HD11 HD13 ' A' ' 40' ' ' LEU . 53.6 mt -58.53 -49.4 82.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.6 -178.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.69 -47.03 79.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.076 -177.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -57.87 -49.33 77.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.221 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.9 tp -52.96 -51.22 62.19 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.713 0.768 . . . . 0.0 111.046 178.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.516 ' HG ' ' NE1' ' A' ' 70' ' ' TRP . 9.8 mp -71.12 -15.08 62.49 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.598 -1.183 . . . . 0.0 112.361 -174.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.9 mtp180 -87.31 -43.48 12.13 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.791 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -92.56 13.2 20.53 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.347 -177.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.464 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 1.3 t80 -81.79 103.8 2.52 Favored Pre-proline 0 C--N 1.33 -0.257 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 172.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 65' ' ' PHE . 2.5 Cg_endo -80.77 -5.11 13.08 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.975 2.45 . . . . 0.0 113.214 -170.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.93 -27.13 16.54 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.394 -174.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.57 ' HE2' HG21 ' A' ' 124' ' ' VAL . 90.7 m-85 -134.95 145.1 47.84 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -173.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -117.37 65.7 0.73 Allowed 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 164.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.516 ' NE1' ' HG ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -79.25 162.94 25.35 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.545 -172.557 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.418 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 39.0 mt-30 -90.05 122.98 33.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.313 -176.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.46 HG23 HD21 ' A' ' 62' ' ' LEU . 14.3 t -91.7 124.94 44.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.264 -173.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.438 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . . . -116.22 148.58 40.28 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.277 177.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.598 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 8.5 p -139.35 142.66 32.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.78 0.324 . . . . 0.0 110.517 -178.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.49 ' HB2' ' HB2' ' A' ' 79' ' ' GLN . . . -108.67 153.4 23.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.266 177.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.07 -96.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.429 ' HA ' ' HG ' ' A' ' 42' ' ' SER . 92.0 mt -133.71 -52.43 0.86 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.178 -0.327 . . . . 0.0 110.806 -177.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -76.61 -32.91 58.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.023 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.49 ' HB2' ' HB2' ' A' ' 75' ' ' ALA . 84.0 mm-40 -63.52 -39.42 94.38 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 112.179 -175.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.427 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . 31.9 p -54.72 -51.53 65.32 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -175.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -67.95 -33.43 74.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.729 0.3 . . . . 0.0 110.778 -177.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.76 -40.09 88.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.931 0.396 . . . . 0.0 110.42 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 81.3 mt -66.93 -37.7 79.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.304 0.573 . . . . 0.0 109.908 174.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.488 ' HA2' HG22 ' A' ' 89' ' ' VAL . . . -65.17 -27.83 72.82 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.337 177.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -75.48 -34.5 60.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.077 0.465 . . . . 0.0 110.158 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 -47.03 -40.38 14.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.706 -1.133 . . . . 0.0 112.452 -175.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.579 ' CE1' HG23 ' A' ' 89' ' ' VAL . 49.3 p90 -131.2 4.64 4.41 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.887 177.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 64.99 82.12 0.19 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.313 175.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.579 HG23 ' CE1' ' A' ' 87' ' ' PHE . 16.7 t -69.12 -82.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.94 177.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.427 ' O ' ' HB2' ' A' ' 91' ' ' ARG . 10.0 tpp180 -162.08 9.87 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.012 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.433 ' HA ' ' HD3' ' A' ' 91' ' ' ARG . 30.7 mmt180 66.07 29.16 10.14 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.586 -173.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 72.2 m-85 -135.33 146.8 59.44 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.925 176.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 92' ' ' PHE . 14.4 Cg_exo -69.38 137.77 37.39 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.858 2.372 . . . . 0.0 111.938 177.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -152.21 -176.91 5.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.67 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.557 ' HB ' ' HB2' ' A' ' 107' ' ' LEU . 3.7 m -116.65 115.23 25.28 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.458 ' O ' HG21 ' A' ' 38' ' ' VAL . 50.4 mt -98.93 128.54 45.12 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.768 0.285 . . . . 0.0 111.768 -171.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 57.8 t -96.91 124.89 49.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.06 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.507 ' CE1' HD13 ' A' ' 39' ' ' ILE . 93.5 m-85 -121.14 126.95 51.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.025 0.44 . . . . 0.0 110.854 -178.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.1 p -142.64 142.55 32.1 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.683 176.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 65.34 20.32 11.8 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.782 0.325 . . . . 0.0 110.987 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.94 14.56 75.97 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.95 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -123.49 150.08 44.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.643 0.258 . . . . 0.0 110.819 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.409 HD12 ' CZ ' ' A' ' 98' ' ' PHE . 58.7 tp -81.02 119.41 23.48 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 177.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.518 ' HG2' HG21 ' A' ' 123' ' ' ILE . 0.5 OUTLIER -96.99 -26.26 15.08 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.563 -177.125 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 165.62 -170.32 40.41 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.268 -0.968 . . . . 0.0 112.579 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -140.94 146.69 37.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.85 0.357 . . . . 0.0 110.903 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.557 ' HB2' ' HB ' ' A' ' 95' ' ' THR . 4.0 mm? -78.42 106.35 10.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.58 178.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.4 m -93.89 98.52 11.11 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.723 175.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -76.05 67.16 2.44 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.749 -177.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 39.1 pt -116.68 2.23 7.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.021 0.439 . . . . 0.0 110.47 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -144.03 151.62 52.82 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.093 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -71.31 -179.72 3.83 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 123.078 2.518 . . . . 0.0 112.808 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 3.7 t-105 -70.05 101.11 1.74 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.528 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -173.08 -47.4 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.345 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -75.22 -1.66 24.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.14 -176.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 47.4 mt -59.55 -35.09 73.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.694 176.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.25 -41.91 94.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.187 -179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 30.8 m -80.07 -43.56 21.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.105 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.33 -48.6 74.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.833 -176.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.708 ' HA ' ' HE1' ' A' ' 120' ' ' MET . 26.0 mmt -68.56 -21.47 64.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.254 -176.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.461 ' O ' ' HD3' ' A' ' 121' ' ' ARG . 2.3 tmt_? -64.83 -32.85 74.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.892 0.377 . . . . 0.0 110.702 -177.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 38.3 t -73.96 -30.37 62.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.016 0.436 . . . . 0.0 110.739 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.518 HG21 ' HG2' ' A' ' 104' ' ' ARG . 60.5 mt -86.34 -50.72 13.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.06 -178.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.57 HG21 ' HE2' ' A' ' 68' ' ' PHE . 2.3 m -153.27 82.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.883 -177.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -67.94 -32.61 73.18 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 178.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 47.3 m 72.03 120.2 0.03 OUTLIER Pre-proline 0 CA--C 1.531 0.249 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 167.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -70.32 138.9 37.05 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.576 2.184 . . . . 0.0 110.881 171.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 69.75 19.18 7.29 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.294 0.638 . . . . 0.0 111.5 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.2 137.1 41.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.106 176.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -80.16 148.11 31.05 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.99 0.424 . . . . 0.0 111.103 -177.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.594 ' HG2' HG13 ' A' ' 133' ' ' VAL . 37.2 tt0 -72.52 96.48 1.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.841 -177.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 64.8 m -91.87 94.44 9.31 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.235 0.54 . . . . 0.0 109.89 176.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.594 HG13 ' HG2' ' A' ' 131' ' ' GLU . 3.7 m -96.12 113.99 31.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.547 -177.145 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 . . . . . 0 C--N 1.319 -0.728 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.317 174.146 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.7 ttm . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.944 0.402 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.23 100.77 3.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.113 177.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -79.54 -53.07 7.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.684 178.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -110.52 103.63 12.25 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.675 -176.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.492 HG22 ' HD2' ' A' ' 6' ' ' PRO . 3.5 m -88.83 145.13 34.17 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 174.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.492 ' HD2' HG22 ' A' ' 5' ' ' THR . 76.2 Cg_exo -51.15 88.47 0.02 OUTLIER 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 122.947 2.431 . . . . 0.0 113.384 179.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -152.66 -156.67 0.72 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.329 -0.85 . . . . 0.0 108.83 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.9 m -65.78 -16.8 64.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.758 0.313 . . . . 0.0 110.914 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.34 -35.33 73.66 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 175.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.456 ' HG ' HG23 ' A' ' 56' ' ' VAL . 1.5 tm? -67.98 -42.1 81.34 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.42 ' HA ' ' HE3' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -61.64 -39.04 89.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.413 176.833 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -60.85 -40.61 93.54 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.857 175.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -61.09 -42.75 99.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.453 HD23 ' CD1' ' A' ' 19' ' ' TRP . 60.9 mt -66.65 -39.25 88.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.213 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 11' ' ' TRP . 96.0 mt -64.72 -26.94 68.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.856 176.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 57.1 m -66.8 -48.89 67.57 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 175.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -172.64 112.08 0.25 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.765 175.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.8 153.67 5.95 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.261 176.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.453 ' CD1' HD23 ' A' ' 14' ' ' LEU . 15.4 m95 62.41 -164.67 0.25 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.9 0.381 . . . . 0.0 111.167 177.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -153.65 110.48 2.55 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.004 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -66.68 96.03 0.35 Allowed 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.455 2.104 . . . . 0.0 111.045 172.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.1 m -93.32 170.34 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.379 0.609 . . . . 0.0 112.027 -175.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -148.88 161.23 42.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.715 -1.13 . . . . 0.0 109.043 -175.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.55 -28.52 64.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.004 0.43 . . . . 0.0 110.594 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.4 m -64.09 -30.0 71.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.014 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.6 t -128.26 12.3 6.53 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 120.964 -0.295 . . . . 0.0 111.675 -174.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.0 p -65.95 -34.6 71.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.795 0.331 . . . . 0.0 110.748 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -59.95 -52.99 63.02 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.832 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -61.94 -42.28 98.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.048 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.579 ' O ' HG21 ' A' ' 34' ' ' VAL . 15.9 t90 -59.62 -53.82 53.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.611 -178.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.437 HD11 HD12 ' A' ' 39' ' ' ILE . 45.9 mm -60.39 -42.39 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.245 -178.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -62.09 -49.03 77.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.316 0.579 . . . . 0.0 111.604 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -67.58 -45.92 74.16 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.988 -174.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.579 HG21 ' O ' ' A' ' 30' ' ' TRP . 21.8 m -84.57 -36.55 11.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.816 -174.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.26 -53.02 4.74 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.203 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -116.99 122.39 44.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.012 0.434 . . . . 0.0 110.476 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.62 173.4 46.26 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.373 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.567 HG11 ' HA ' ' A' ' 97' ' ' VAL . 15.5 m -136.23 135.35 49.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.75 0.309 . . . . 0.0 111.21 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.437 HD12 HD11 ' A' ' 31' ' ' ILE . 2.6 mp -102.54 115.05 43.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 173.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 tt -85.97 120.7 27.65 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.441 ' O ' ' HA ' ' A' ' 93' ' ' PRO . 10.6 mp -86.28 105.87 16.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.001 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.9 t 63.68 -171.7 0.17 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.417 175.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.4 m -157.78 -57.99 0.08 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 176.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.5 t70 58.03 87.44 0.14 Allowed Pre-proline 0 N--CA 1.465 0.297 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.555 178.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.773 ' HB3' HD22 ' A' ' 54' ' ' ASN . 18.8 Cg_endo -60.24 116.93 3.65 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.554 2.169 . . . . 0.0 111.261 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.9 ttt85 -150.24 -80.96 0.11 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.969 -176.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 53.7 ttm-85 -178.62 99.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.043 0.449 . . . . 0.0 110.838 175.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.452 ' C ' ' H ' ' A' ' 50' ' ' GLU . 9.3 m -69.43 146.9 96.76 Favored Pre-proline 0 C--N 1.319 -0.728 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 170.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.423 ' HD2' ' CG2' ' A' ' 48' ' ' THR . 36.5 Cg_endo -66.98 44.24 0.21 Allowed 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 122.866 2.378 . . . . 0.0 112.314 174.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.452 ' H ' ' C ' ' A' ' 48' ' ' THR . 1.9 tm-20 -177.45 144.67 0.4 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 106.645 -1.613 . . . . 0.0 106.645 -176.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.5 m -74.98 60.44 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.623 0.725 . . . . 0.0 112.065 -175.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.41 ' HB3' ' HB2' ' A' ' 57' ' ' MET . 50.7 m -147.21 48.31 1.13 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.807 177.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.532 ' O ' ' HB2' ' A' ' 54' ' ' ASN . 33.4 t70 -63.15 150.76 42.06 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.865 177.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.773 HD22 ' HB3' ' A' ' 45' ' ' PRO . 13.0 m-80 71.95 172.76 0.1 OUTLIER Pre-proline 0 N--CA 1.469 0.509 0 O-C-N 123.353 0.408 . . . . 0.0 110.215 -173.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.678 ' HD2' ' HB3' ' A' ' 54' ' ' ASN . 56.8 Cg_endo -70.98 43.59 0.48 Allowed 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.512 2.142 . . . . 0.0 113.783 -178.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.456 HG23 ' HG ' ' A' ' 10' ' ' LEU . 49.4 t -86.36 -39.21 13.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.136 0.493 . . . . 0.0 110.199 178.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.41 ' HB2' ' HB3' ' A' ' 52' ' ' SER . 1.1 tmt? -63.9 -35.85 82.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.673 -177.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.5 HD11 ' HA ' ' A' ' 55' ' ' PRO . 3.5 mp -60.12 -31.54 48.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -178.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' A' ' 63' ' ' ARG . . . -63.98 -38.79 92.37 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.039 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -74.71 -36.23 62.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.072 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.41 HD23 ' HE3' ' A' ' 57' ' ' MET . 0.3 OUTLIER -59.26 -41.03 87.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.53 177.553 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.536 HD13 HG22 ' A' ' 72' ' ' VAL . 6.7 tt -56.51 -42.73 78.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.263 177.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 59' ' ' ALA . 48.1 mtp180 -69.89 -16.18 63.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.319 -175.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -95.53 2.4 54.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.189 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.68 88.48 13.81 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.671 0.272 . . . . 0.0 111.037 178.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -90.23 15.32 1.9 Allowed 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.823 2.349 . . . . 0.0 111.527 175.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -75.15 -37.93 61.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.584 -175.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.441 ' CE2' ' HB ' ' A' ' 124' ' ' VAL . 0.1 OUTLIER -159.13 177.51 11.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.1 0.476 . . . . 0.0 112.072 -178.301 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.517 ' HB3' ' HB3' ' A' ' 129' ' ' ALA . 7.2 t70 -110.5 118.67 36.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.326 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -142.83 150.24 39.66 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.248 0.547 . . . . 0.0 111.662 -174.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.564 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 1.9 mp0 -91.24 123.83 34.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.241 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.536 HG22 HD13 ' A' ' 62' ' ' LEU . 53.4 t -92.2 121.4 42.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.372 179.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.98 162.25 21.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.651 -177.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.3 p -145.12 141.2 22.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.516 -177.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.531 ' HB1' ' HB3' ' A' ' 79' ' ' GLN . . . -94.78 130.78 41.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.334 177.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -74.85 86.17 2.23 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -172.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.1 mt 62.57 -75.85 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.945 1.298 . . . . 0.0 112.662 170.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -77.24 -35.89 55.02 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.107 -173.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.531 ' HB3' ' HB1' ' A' ' 75' ' ' ALA . 9.0 tp-100 -58.71 -27.2 64.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.342 -175.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 95.3 p -63.03 -30.95 72.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.408 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.545 ' HA ' ' HB3' ' A' ' 91' ' ' ARG . 34.4 tt0 -60.81 -55.13 36.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -174.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.4 -37.75 85.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.497 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.426 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 70.5 mt -67.07 -51.96 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.753 0.311 . . . . 0.0 110.911 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.494 ' HA3' ' O ' ' A' ' 90' ' ' ARG . . . -66.73 -34.46 87.43 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.728 -177.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -66.53 -31.86 72.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.255 0.55 . . . . 0.0 110.28 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.426 ' HB3' ' O ' ' A' ' 83' ' ' ILE . 8.7 tpm_? -53.51 -43.87 68.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.712 175.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.405 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 5.9 m-85 -83.81 -79.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.013 0.435 . . . . 0.0 109.861 178.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 87' ' ' PHE . 9.1 t30 173.75 20.27 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.451 -175.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.1 t -110.29 -20.39 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.153 0.502 . . . . 0.0 110.151 -174.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.494 ' O ' ' HA3' ' A' ' 84' ' ' GLY . 29.8 ttt180 59.22 -147.37 0.49 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.65 -176.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.545 ' HB3' ' HA ' ' A' ' 81' ' ' GLU . 14.8 ptm180 -95.15 34.82 1.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.095 -0.378 . . . . 0.0 111.568 -177.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 80.4 m-85 -89.96 140.84 27.69 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 175.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 35.8 Cg_exo -60.91 118.05 4.88 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.801 2.334 . . . . 0.0 112.828 -177.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -162.99 159.74 23.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.053 178.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.0 m -126.49 116.12 20.61 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.466 ' HB3' HD12 ' A' ' 103' ' ' LEU . 6.1 mp -92.18 137.1 32.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.979 0.419 . . . . 0.0 110.788 -177.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.567 ' HA ' HG11 ' A' ' 38' ' ' VAL . 60.7 t -96.25 108.35 21.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.783 -176.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -103.06 102.93 12.97 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.308 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.457 ' O ' ' HB3' ' A' ' 100' ' ' ASP . 1.2 p -129.73 142.57 50.68 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.564 ' HA ' ' HB1' ' A' ' 128' ' ' ALA . 33.8 t70 73.39 8.82 5.16 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.989 0.899 . . . . 0.0 109.551 -175.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.22 2.05 90.3 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.505 -172.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -113.34 137.31 51.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.801 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.466 HD12 ' HB3' ' A' ' 96' ' ' LEU . 41.4 tp -67.81 107.67 2.7 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 174.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -96.24 -30.74 13.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.715 -172.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -173.96 -174.47 40.87 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.182 -1.009 . . . . 0.0 112.463 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.428 ' HA ' ' HA ' ' A' ' 96' ' ' LEU . . . -150.69 137.37 18.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.692 0.282 . . . . 0.0 110.717 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.619 HD11 HD22 ' A' ' 116' ' ' LEU . 4.2 mm? -104.64 143.5 33.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.952 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.1 t -141.0 -61.68 0.48 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 175.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -92.91 136.68 13.28 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.727 175.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.436 ' O ' ' HB2' ' A' ' 111' ' ' HIS . 50.8 mm -67.97 -45.79 83.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.458 0.129 . . . . 0.0 111.121 -177.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.746 ' HB3' ' HD2' ' A' ' 112' ' ' PRO . 62.7 m80 69.65 173.33 0.09 OUTLIER Pre-proline 0 N--CA 1.47 0.565 0 O-C-N 123.47 0.481 . . . . 0.0 111.519 177.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.746 ' HD2' ' HB3' ' A' ' 111' ' ' HIS . 56.8 Cg_endo -71.86 10.75 0.79 Allowed 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 122.806 2.337 . . . . 0.0 113.221 176.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 78.82 -14.83 0.82 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.641 0.776 . . . . 0.0 111.899 173.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.77 -34.68 73.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.425 0.631 . . . . 0.0 110.767 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.46 ' O ' ' HG ' ' A' ' 119' ' ' LEU . 12.0 mp0 -74.31 -39.74 62.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.952 178.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.619 HD22 HD11 ' A' ' 107' ' ' LEU . 43.6 mt -61.9 -37.1 83.35 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.848 177.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.94 -43.13 99.1 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 177.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 42.0 m -66.18 -38.1 87.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.915 177.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 115' ' ' GLU . 95.5 mt -69.26 -49.63 54.45 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -67.88 -20.26 65.11 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.964 0.411 . . . . 0.0 110.933 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 -63.02 -67.5 0.42 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.382 178.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.7 m -78.39 -45.42 22.43 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -176.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 65.4 mt -78.5 -50.46 19.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 -162.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.441 ' HB ' ' CE2' ' A' ' 68' ' ' PHE . 27.0 m -86.18 29.45 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -168.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.468 ' O ' ' HD3' ' A' ' 127' ' ' PRO . 30.7 t70 -75.26 -35.54 61.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 11.8 p -106.49 100.01 27.75 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.737 -178.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.468 ' HD3' ' O ' ' A' ' 125' ' ' ASP . 84.5 Cg_endo -96.12 171.34 1.1 Allowed 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 123.19 2.593 . . . . 0.0 112.231 175.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.564 ' HB1' ' HA ' ' A' ' 100' ' ' ASP . . . -126.72 10.96 7.2 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.058 0.456 . . . . 0.0 109.772 175.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.517 ' HB3' ' HB3' ' A' ' 69' ' ' ASP . . . -51.57 110.94 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.996 179.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -98.43 28.55 4.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.088 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 71.19 85.37 0.13 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.3 174.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 18.4 m -91.52 -59.78 2.05 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 169.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 48.3 t 66.95 125.18 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 169.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.022 174.727 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.484 1.274 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.46 -55.18 36.63 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -177.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -67.6 125.82 27.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.666 0.269 . . . . 0.0 110.997 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -63.65 110.8 2.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.457 175.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.7 m -130.5 140.96 40.24 Favored Pre-proline 0 C--N 1.317 -0.812 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.135 -173.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -46.47 145.29 6.25 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.71 2.273 . . . . 0.0 112.195 173.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -68.79 160.52 30.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.135 0.493 . . . . 0.0 111.542 -173.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.4 m -55.28 122.11 10.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.989 -175.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.95 -27.14 68.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.976 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 62.2 tp -53.71 -44.01 69.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.577 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.518 ' CZ2' ' HA ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -59.37 -42.0 90.6 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.277 0.56 . . . . 0.0 110.577 -178.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.02 -43.29 88.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.533 179.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.28 -46.29 84.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.467 -177.061 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.415 HD11 ' N ' ' A' ' 15' ' ' LEU . 4.5 pp -66.73 -37.98 85.74 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.113 -176.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.511 HD22 ' HZ3' ' A' ' 11' ' ' TRP . 30.7 mt -62.96 -30.04 71.27 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.06 0.457 . . . . 0.0 111.185 177.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.6 m -72.92 -26.3 61.36 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.069 -178.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -97.85 -40.6 8.44 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.967 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.69 -120.97 0.86 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.362 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.1 m95 66.01 -172.78 0.19 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.159 0.504 . . . . 0.0 111.867 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -160.4 119.88 1.6 Allowed Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.909 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.612 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 18.5 Cg_exo -69.14 114.75 3.71 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.382 2.055 . . . . 0.0 110.968 171.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.45 HG11 ' HB2' ' A' ' 73' ' ' ALA . 3.6 m -93.77 159.08 2.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.337 0.589 . . . . 0.0 111.625 -179.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.42 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 50.1 mt-10 -137.43 157.57 46.3 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.434 -177.216 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.41 -26.72 61.09 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.141 0.496 . . . . 0.0 110.561 -178.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.1 m -64.67 -27.8 69.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.08 -176.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.3 t -134.75 11.94 3.69 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -174.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.42 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 8.3 p -65.05 -37.21 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.943 0.402 . . . . 0.0 111.201 -177.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.01 -47.61 76.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.517 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -72.89 -35.6 67.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.157 -174.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.464 ' O ' HG22 ' A' ' 34' ' ' VAL . 41.3 t90 -61.62 -47.89 83.39 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.454 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.0 mm -62.99 -38.74 82.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.035 0.445 . . . . 0.0 110.555 178.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -59.69 -36.03 75.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.83 177.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.28 -46.11 16.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.642 -176.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 30' ' ' TRP . 28.8 m -77.01 -43.28 32.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -175.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.96 -46.29 2.27 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.976 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -124.73 139.99 53.35 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.765 0.317 . . . . 0.0 110.452 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.46 174.18 33.03 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.026 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.501 HG11 ' HA ' ' A' ' 97' ' ' VAL . 14.8 m -137.32 139.68 43.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.935 0.397 . . . . 0.0 111.311 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.443 HG22 HG22 ' A' ' 22' ' ' VAL . 2.2 mp -105.19 117.23 50.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 174.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.403 ' HB3' HG23 ' A' ' 74' ' ' VAL . 5.0 tt -94.27 114.99 27.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.021 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.413 HD11 HG23 ' A' ' 39' ' ' ILE . 10.1 mp -81.51 129.82 34.81 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 175.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.579 ' OG ' ' HA ' ' A' ' 77' ' ' LEU . 65.6 p -64.87 -40.79 95.68 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -172.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.441 ' OG ' ' HB2' ' A' ' 93' ' ' PRO . 14.9 m 58.91 -113.2 0.66 Allowed 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.683 -176.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -165.9 83.91 1.01 Allowed Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -96.53 108.53 0.1 Allowed 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 123.354 2.703 . . . . 0.0 113.409 -177.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 46' ' ' ARG . 13.5 tpt180 -171.22 -55.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.667 173.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.454 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 10.1 mtp180 -77.51 -28.43 52.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.505 -178.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.1 p -113.1 90.25 15.74 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-O 121.184 0.516 . . . . 0.0 111.008 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.454 ' HD3' ' O ' ' A' ' 47' ' ' ARG . 6.3 Cg_exo -79.08 48.73 2.92 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 123.325 2.684 . . . . 0.0 111.851 -179.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.616 ' HB3' HD13 ' A' ' 110' ' ' ILE . 47.2 mt-10 -67.84 -41.43 82.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.487 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.0 m -101.06 73.01 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.192 0.52 . . . . 0.0 110.22 175.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.0 m 68.78 -69.31 0.16 Allowed 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.789 -175.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.0 t70 179.71 -58.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -112.25 162.01 23.39 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.679 172.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -68.31 44.69 0.31 Allowed 'Trans proline' 0 N--CA 1.482 0.807 0 C-N-CA 123.502 2.801 . . . . 0.0 114.087 -177.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.3 t -85.9 -20.82 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.367 0.603 . . . . 0.0 110.071 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.6 ttt -55.94 -36.48 67.8 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.736 -177.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.0 mp -65.55 -43.33 94.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.974 0.416 . . . . 0.0 110.643 -177.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.55 -32.23 73.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.045 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -74.06 -44.15 55.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.323 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -36.48 83.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.73 -178.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.521 HD23 HG21 ' A' ' 72' ' ' VAL . 56.2 tp -57.64 -36.37 71.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.627 -178.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -57.84 -34.99 70.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.604 -173.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.573 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 15.3 pt-20 -111.24 24.66 12.6 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.821 -177.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -84.66 102.54 2.3 Favored Pre-proline 0 CA--C 1.529 0.142 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 174.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.573 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 92.0 Cg_endo -87.23 4.65 6.02 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.641 2.227 . . . . 0.0 113.29 -171.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.15 -57.3 3.8 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.864 0.364 . . . . 0.0 110.444 -176.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.414 ' N ' ' CD1' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -159.65 155.13 25.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.575 -176.271 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -94.14 72.55 3.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.914 178.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.461 ' CZ3' HG12 ' A' ' 97' ' ' VAL . 0.2 OUTLIER -85.09 169.28 14.07 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.188 0.518 . . . . 0.0 111.997 -176.297 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -85.95 128.78 34.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.902 -175.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.521 HG21 HD23 ' A' ' 62' ' ' LEU . 62.4 t -106.95 122.91 61.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 177.177 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.45 ' HB2' HG11 ' A' ' 22' ' ' VAL . . . -133.76 158.39 43.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.856 -178.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.612 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 12.0 p -138.31 148.16 25.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -177.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.01 151.22 22.41 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 177.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.518 ' HA ' ' CZ2' ' A' ' 11' ' ' TRP . 4.7 m-20 -54.54 -71.71 0.07 Allowed 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.389 0.431 . . . . 0.0 110.953 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.579 ' HA ' ' OG ' ' A' ' 42' ' ' SER . 2.5 pt? -168.22 -42.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.687 176.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -73.92 -48.72 28.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.667 -176.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.424 ' O ' HG13 ' A' ' 83' ' ' ILE . 0.8 OUTLIER -55.63 -28.03 53.02 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.347 -174.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.2 m -50.82 -38.6 49.6 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -74.2 -41.97 60.56 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.167 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.7 -34.53 78.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.307 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.519 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 82.1 mt -69.16 -44.48 80.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.845 0.355 . . . . 0.0 110.327 177.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.59 -31.41 80.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.337 176.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -66.99 -39.13 87.08 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 123.338 0.655 . . . . 0.0 110.774 176.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.519 ' HB3' ' O ' ' A' ' 83' ' ' ILE . 14.8 tpt180 -48.72 -44.25 38.1 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.827 176.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.586 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 6.0 m-85 -85.6 -79.52 0.24 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.586 ' HB2' ' O ' ' A' ' 87' ' ' PHE . 63.3 t30 153.87 35.13 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.72 0 O-C-N 124.822 1.326 . . . . 0.0 108.755 -177.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 42.9 t -81.66 99.42 4.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.064 0.459 . . . . 0.0 110.609 -175.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -96.32 -12.36 24.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.89 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -122.41 99.1 6.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.66 -0.246 . . . . 0.0 111.541 -174.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 64.98 98.83 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.366 0 O-C-N 124.087 0.867 . . . . 0.0 112.846 173.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.441 ' HB2' ' OG ' ' A' ' 43' ' ' SER . 15.5 Cg_exo -69.01 150.21 72.51 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.486 2.124 . . . . 0.0 110.628 171.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -159.77 -159.32 0.72 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.735 0.302 . . . . 0.0 110.779 -170.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.437 HG22 ' HB ' ' A' ' 38' ' ' VAL . 7.7 m -98.4 117.65 33.29 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 176.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.439 HD23 ' N ' ' A' ' 96' ' ' LEU . 3.0 mm? -89.65 134.6 34.07 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.997 0.427 . . . . 0.0 110.81 -177.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.501 ' HA ' HG11 ' A' ' 38' ' ' VAL . 86.4 t -90.32 114.05 27.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.627 -177.123 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.441 ' CZ ' HD12 ' A' ' 103' ' ' LEU . 92.5 m-85 -112.94 124.61 53.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.368 0.604 . . . . 0.0 110.255 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.3 m -146.77 147.24 30.71 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.5 t0 68.23 13.14 9.0 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.476 0.655 . . . . 0.0 110.126 -178.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.06 6.13 89.29 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.476 -174.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -121.12 157.05 30.99 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.876 0.37 . . . . 0.0 111.17 -177.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.441 HD12 ' CZ ' ' A' ' 98' ' ' PHE . 54.2 tp -80.91 116.68 21.01 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 178.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.569 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 0.8 OUTLIER -91.0 -50.06 6.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.998 -176.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -170.42 -146.13 5.02 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.817 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -146.6 165.02 30.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.489 0.185 . . . . 0.0 110.55 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.64 88.99 7.06 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.8 p -106.74 13.47 27.96 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.82 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -79.56 63.36 3.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.362 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.616 HD13 ' HB3' ' A' ' 50' ' ' GLU . 17.7 tt -84.72 -14.81 11.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.694 0.759 . . . . 0.0 110.181 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 11.5 t-160 -94.11 123.52 58.86 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 111' ' ' HIS . 58.2 Cg_exo -52.78 89.85 0.03 OUTLIER 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 123.602 2.868 . . . . 0.0 114.743 -172.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.464 ' HA ' HD11 ' A' ' 116' ' ' LEU . 0.1 OUTLIER 61.1 -161.37 0.29 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.29 -0.868 . . . . 0.0 112.795 172.718 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 72.12 -63.85 0.41 Allowed 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 123.622 0.769 . . . . 0.0 111.084 -174.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -79.75 -19.3 49.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.905 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.464 HD11 ' HA ' ' A' ' 113' ' ' TRP . 19.0 mt -59.12 -33.28 70.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.668 175.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 75.6 mt -65.32 -39.43 92.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.015 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.0 m -68.55 -45.03 73.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.65 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 98.0 mt -62.13 -49.94 73.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.004 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 71.4 mtm -62.29 -37.18 84.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.318 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -56.8 -50.75 71.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.708 0.29 . . . . 0.0 111.536 -178.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.0 m -76.69 -34.64 58.19 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.6 HG23 HG12 ' A' ' 124' ' ' VAL . 35.9 mm -83.78 -49.24 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -172.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.6 HG12 HG23 ' A' ' 123' ' ' ILE . 4.6 m -129.57 76.91 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.505 0.669 . . . . 0.0 111.083 -174.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -67.46 -73.85 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.744 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 63.7 m 65.75 117.81 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.893 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -59.15 104.28 0.2 Allowed 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.867 2.378 . . . . 0.0 112.836 -178.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 61.12 91.5 0.06 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.823 175.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.17 160.31 32.35 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 173.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -89.56 -57.71 2.78 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.03 -0.268 . . . . 0.0 111.713 -177.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -79.79 108.93 13.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.818 0.342 . . . . 0.0 110.774 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 19.2 p -129.66 -68.16 0.73 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.233 176.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 61.4 t 65.45 96.15 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.253 177.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.932 177.798 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 120.813 0.34 . . . . 0.0 111.289 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 68.67 -64.49 0.31 Allowed 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.431 176.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -56.04 -70.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.573 0.545 . . . . 0.0 110.54 -178.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 47.29 68.97 0.56 Allowed 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 173.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.459 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 6.8 t -115.48 125.3 28.95 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-O 121.139 0.495 . . . . 0.0 109.796 176.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 13.7 Cg_exo -69.86 110.03 2.47 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.929 2.419 . . . . 0.0 112.99 -176.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -137.87 175.43 9.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.785 174.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.2 m 67.06 92.42 0.08 Allowed 'General case' 0 C--N 1.331 -0.224 0 O-C-N 123.85 0.719 . . . . 0.0 111.047 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.67 -28.72 70.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.233 -178.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.07 -29.1 66.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.781 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.598 ' CZ3' ' HG3' ' A' ' 21' ' ' PRO . 0.5 OUTLIER -62.97 -36.11 82.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.429 179.429 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -61.49 -37.83 85.07 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.346 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.403 ' O ' ' HB ' ' A' ' 16' ' ' THR . 26.2 mmt180 -73.38 -28.39 62.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.356 178.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.477 ' HB3' ' HB2' ' A' ' 19' ' ' TRP . 83.4 mt -61.46 -48.37 81.43 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 175.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.17 -30.84 71.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.797 175.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 13' ' ' ARG . 67.3 m -58.99 -49.76 76.68 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.409 177.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -69.89 -44.94 68.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.821 0.343 . . . . 0.0 110.565 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.79 38.14 0.14 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.432 -0.89 . . . . 0.0 112.63 178.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.477 ' HB2' ' HB3' ' A' ' 14' ' ' LEU . 12.0 m95 -93.07 124.62 37.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.908 0.385 . . . . 0.0 110.239 179.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -105.08 119.66 52.42 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.82 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.598 ' HG3' ' CZ3' ' A' ' 11' ' ' TRP . 19.2 Cg_exo -68.25 107.59 1.6 Allowed 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.538 2.159 . . . . 0.0 111.386 175.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.478 HG21 HG13 ' A' ' 39' ' ' ILE . 15.3 m -101.1 175.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.586 -176.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.502 ' HB2' HG21 ' A' ' 26' ' ' THR . 42.3 mt-10 -145.52 161.18 40.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.574 -174.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.12 -18.35 60.81 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.095 0.474 . . . . 0.0 110.785 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.6 p -81.93 -18.32 44.03 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.579 -178.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.502 HG21 ' HB2' ' A' ' 23' ' ' GLU . 9.0 t -131.08 12.94 5.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.802 0.334 . . . . 0.0 111.246 -176.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.8 -38.88 83.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.044 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -64.4 -49.83 70.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.142 0.496 . . . . 0.0 110.497 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -65.6 -42.12 92.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.619 -176.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.471 ' O ' HG23 ' A' ' 34' ' ' VAL . 53.9 t90 -60.38 -47.37 86.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.4 -177.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.477 HD13 ' CD1' ' A' ' 39' ' ' ILE . 33.9 mm -62.02 -40.64 88.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.554 178.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.435 ' HD2' ' O ' ' A' ' 32' ' ' LYS . 4.0 tmmm? -58.62 -42.52 88.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.274 178.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -74.04 -47.0 39.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.523 -175.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 30' ' ' TRP . 33.3 m -78.45 -37.11 21.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.0 -0.546 . . . . 0.0 112.006 -174.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.51 -54.51 4.93 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.501 -0.64 . . . . 0.0 111.501 -177.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -124.57 125.79 44.74 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 120.797 0.332 . . . . 0.0 110.292 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.536 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . -178.7 174.22 46.42 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.028 -0.606 . . . . 0.0 111.938 -179.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.53 HG11 ' HA ' ' A' ' 97' ' ' VAL . 13.3 m -133.68 127.21 52.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 O-C-N 122.812 -0.228 . . . . 0.0 111.088 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.635 HG21 HG21 ' A' ' 83' ' ' ILE . 1.9 mp -91.51 116.42 32.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 174.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.475 HD13 HD11 ' A' ' 58' ' ' ILE . 3.8 tt -94.7 130.05 41.35 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.699 178.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.436 ' HB2' ' H ' ' A' ' 94' ' ' ALA . 7.7 mp -91.2 108.76 20.1 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.551 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.472 ' HA ' ' O ' ' A' ' 76' ' ' ASP . 15.5 m 64.26 -95.46 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.31 0.644 . . . . 0.0 112.49 177.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.669 ' HA ' ' HG3' ' A' ' 55' ' ' PRO . 47.6 t -173.9 -74.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 -174.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.487 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 19.8 t70 -167.75 -52.34 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.572 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.487 ' HD2' ' H ' ' A' ' 44' ' ' ASP . 56.2 Cg_endo -71.41 147.2 52.03 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 121.636 1.557 . . . . 0.0 111.961 176.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.408 ' HD2' ' HA ' ' A' ' 46' ' ' ARG . 11.4 tpt180 -108.83 -13.59 14.73 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 177.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 49.6 ttm-85 -161.83 -62.66 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.88 175.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.7 m -91.37 117.83 68.07 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.62 109.0 2.77 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 123.078 2.519 . . . . 0.0 111.437 175.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.788 ' HG3' HG21 ' A' ' 51' ' ' VAL . 12.3 tp10 -81.54 -74.02 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.633 -178.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.788 HG21 ' HG3' ' A' ' 50' ' ' GLU . 48.5 t -117.54 -30.05 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.44 0.638 . . . . 0.0 109.904 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.1 p -83.23 139.59 33.03 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.237 -175.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -108.69 -61.11 1.65 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 166.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -128.11 159.53 66.46 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 114.609 -1.178 . . . . 0.0 108.704 177.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.669 ' HG3' ' HA ' ' A' ' 43' ' ' SER . 19.2 Cg_exo -66.25 89.65 0.26 Allowed 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.689 2.259 . . . . 0.0 112.739 -176.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.5 m -74.28 -35.52 40.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.75 -178.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 91.7 mtp -55.52 -49.13 73.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.355 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.696 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 4.4 mp -65.83 -45.94 90.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -179.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.29 -38.39 76.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.707 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.461 ' OE2' ' HD2' ' A' ' 63' ' ' ARG . 7.3 tp10 -74.14 -39.62 63.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.519 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -60.84 -41.2 95.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.403 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 76.3 mt -51.36 -29.65 16.1 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.518 -178.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.461 ' HD2' ' OE2' ' A' ' 60' ' ' GLU . 72.7 mtt180 -65.62 -34.01 77.22 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -173.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -120.53 -1.06 10.17 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -173.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -59.1 107.61 1.04 Allowed Pre-proline 0 N--CA 1.467 0.417 0 CA-C-N 118.195 0.452 . . . . 0.0 110.904 -175.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -89.88 -5.28 5.19 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 123.017 2.478 . . . . 0.0 112.987 -173.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -88.92 -37.7 15.07 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.534 -175.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -136.2 136.42 39.94 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.806 -173.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -103.19 75.41 1.36 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 165.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.536 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . 0.1 OUTLIER -101.46 164.73 11.62 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.853 -1.067 . . . . 0.0 112.115 -172.13 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.429 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 1.7 mp0 -91.11 135.38 33.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.507 176.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.503 HG23 HD11 ' A' ' 62' ' ' LEU . 9.6 t -90.08 129.88 40.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.211 -176.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.468 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . . . -125.96 140.91 52.24 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.913 0.387 . . . . 0.0 110.55 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.548 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 5.5 p -145.39 138.99 21.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.884 179.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.713 ' HB3' ' HG ' ' A' ' 80' ' ' SER . . . -107.49 154.29 21.59 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.509 ' CG ' ' H ' ' A' ' 77' ' ' LEU . 20.9 p-10 -64.99 -70.78 0.21 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -172.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.509 ' H ' ' CG ' ' A' ' 76' ' ' ASP . 69.0 mt -159.78 -56.9 0.06 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -176.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -71.29 -40.95 70.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.442 -177.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.498 ' O ' HG13 ' A' ' 83' ' ' ILE . 88.4 mm-40 -67.13 -35.79 80.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.42 178.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.713 ' HG ' ' HB3' ' A' ' 75' ' ' ALA . 2.6 m -57.7 -46.36 84.44 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.673 176.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -59.12 -43.05 91.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.491 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.48 -38.89 68.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.164 -177.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.635 HG21 HG21 ' A' ' 39' ' ' ILE . 80.9 mt -61.66 -47.35 93.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.596 0.236 . . . . 0.0 110.958 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -66.35 -31.68 79.68 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.429 -0.891 . . . . 0.0 112.003 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.537 ' HB2' ' HD2' ' A' ' 90' ' ' ARG . 18.9 t70 -68.26 -32.33 72.43 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 122.817 0.447 . . . . 0.0 110.69 -178.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -44.51 -45.5 9.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.408 177.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.436 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -101.52 -73.53 0.65 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.678 178.247 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 87' ' ' PHE . 15.8 t-20 170.18 25.12 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.27 0.557 . . . . 0.0 110.001 -173.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.0 t -116.6 28.09 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 122.121 0.962 . . . . 0.0 109.041 -175.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.537 ' HD2' ' HB2' ' A' ' 85' ' ' ASP . 53.7 ttt180 -77.3 76.45 3.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.281 177.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.421 ' HD2' ' HA ' ' A' ' 91' ' ' ARG . 14.7 tpt180 -149.03 78.16 1.38 Allowed 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.225 -175.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.47 ' HB3' ' HD2' ' A' ' 93' ' ' PRO . 86.8 m-85 67.53 172.69 0.09 OUTLIER Pre-proline 0 CA--C 1.539 0.529 0 O-C-N 123.701 0.626 . . . . 0.0 112.006 174.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.47 ' HD2' ' HB3' ' A' ' 92' ' ' PHE . 48.4 Cg_exo -59.63 131.48 40.4 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.553 2.168 . . . . 0.0 112.969 177.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.436 ' H ' ' HB2' ' A' ' 41' ' ' LEU . . . -159.25 -176.56 5.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.426 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.6 m -131.04 121.99 25.99 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.427 ' HB2' ' HE1' ' A' ' 98' ' ' PHE . 62.7 mt -94.23 135.33 35.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.518 -178.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.53 ' HA ' HG11 ' A' ' 38' ' ' VAL . 48.1 t -101.88 117.22 46.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.997 -175.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.517 ' CE2' HD11 ' A' ' 103' ' ' LEU . 68.7 m-85 -119.04 115.38 24.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.354 179.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 100' ' ' ASP . 49.8 p -129.46 150.15 50.93 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 175.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 99' ' ' THR . 10.4 m-20 68.42 12.02 8.57 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.315 0.384 . . . . 0.0 111.26 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 77.86 13.42 83.43 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.034 -0.603 . . . . 0.0 111.825 -172.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -123.82 144.51 49.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.738 0.304 . . . . 0.0 110.877 -177.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.517 HD11 ' CE2' ' A' ' 98' ' ' PHE . 54.1 tp -78.34 122.3 25.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.132 0.491 . . . . 0.0 110.403 178.076 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -92.88 -42.17 9.65 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.624 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 162.17 -148.92 16.66 Favored Glycine 0 N--CA 1.444 -0.824 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 -178.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -125.82 154.13 43.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.737 0.303 . . . . 0.0 110.778 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.94 92.82 9.15 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 178.068 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 24.7 m -139.53 97.5 3.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 -176.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -106.83 151.07 16.88 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 175.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 34.6 pt -94.99 -10.5 9.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.577 0.703 . . . . 0.0 110.084 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.886 ' HB3' ' HG2' ' A' ' 115' ' ' GLU . 46.7 t60 -125.24 130.66 24.08 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 175.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -41.76 -49.44 5.43 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.618 2.878 . . . . 0.0 114.316 -173.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.539 ' HD1' ' H ' ' A' ' 114' ' ' ALA . 0.9 OUTLIER -141.3 -164.66 1.81 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 177.169 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.539 ' H ' ' HD1' ' A' ' 113' ' ' TRP . . . 71.23 -66.99 0.27 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.63 0.772 . . . . 0.0 111.335 -177.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.886 ' HG2' ' HB3' ' A' ' 111' ' ' HIS . 0.0 OUTLIER -66.58 -22.04 66.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.704 -0.225 . . . . 0.0 110.95 -178.236 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.3 mt -50.19 -34.1 21.53 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.513 176.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.532 ' O ' ' HG3' ' A' ' 121' ' ' ARG . 91.0 mt -70.25 -43.33 70.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.867 0.365 . . . . 0.0 110.215 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.513 ' O ' ' HB2' ' A' ' 121' ' ' ARG . 19.1 m -67.7 -42.95 81.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.728 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.18 -48.37 80.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.52 175.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 46.9 tpp -53.92 -34.96 61.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.252 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.532 ' HG3' ' O ' ' A' ' 117' ' ' LEU . 46.7 mtt180 -53.65 -52.44 59.95 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.113 0.482 . . . . 0.0 111.399 177.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.8 t -66.89 -36.51 82.46 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.169 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 75.3 mt -67.03 -50.28 65.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.858 0.361 . . . . 0.0 111.266 -177.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.0 m -134.44 75.24 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.503 0.668 . . . . 0.0 110.271 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -52.0 -50.69 60.82 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.159 -178.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.401 ' C ' ' H ' ' A' ' 128' ' ' ALA . 12.3 m 57.15 85.13 0.2 Allowed Pre-proline 0 C--N 1.329 -0.321 0 O-C-N 123.923 0.764 . . . . 0.0 111.27 177.352 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.03 16.1 1.03 Allowed 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 123.039 2.493 . . . . 0.0 112.312 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.401 ' H ' ' C ' ' A' ' 126' ' ' THR . . . 71.25 173.67 0.31 Allowed 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.971 0.794 . . . . 0.0 110.79 -176.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -149.41 168.59 23.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.949 -178.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -89.23 119.22 29.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.39 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 71.0 -77.5 0.05 Allowed 'General case' 0 C--O 1.233 0.223 0 O-C-N 124.172 0.92 . . . . 0.0 111.399 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 13.0 t -175.78 170.53 2.82 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -178.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 28.6 m -116.82 8.34 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.188 -178.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 120.915 0.388 . . . . 0.0 110.943 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 70.39 117.71 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 O-C-N 124.084 0.865 . . . . 0.0 112.019 176.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -86.15 -61.23 1.79 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.2 t70 61.51 -82.26 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.994 0.809 . . . . 0.0 111.818 175.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.4 m 67.2 105.15 0.03 OUTLIER Pre-proline 0 C--O 1.234 0.273 0 O-C-N 123.611 0.57 . . . . 0.0 111.679 178.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -82.25 164.75 17.03 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.704 2.27 . . . . 0.0 112.009 177.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -81.24 179.98 7.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.03 0.443 . . . . 0.0 110.938 178.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.6 p -84.22 27.19 0.7 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.173 -175.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.49 -37.62 84.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.114 0.483 . . . . 0.0 110.577 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.9 mt -65.66 -42.19 91.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.609 176.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 22.4 t-105 -70.98 -32.86 69.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.115 -177.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.07 -38.4 82.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.778 176.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -65.01 -29.26 70.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.648 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 77.5 mt -71.56 -45.78 61.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.196 178.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.32 -28.86 70.3 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 176.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.484 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 58.4 m -62.85 -57.15 11.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.788 175.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 16' ' ' THR . 19.1 mtt180 -176.2 119.24 0.14 Allowed 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.576 175.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 156.08 -97.92 0.17 Allowed Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.903 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.57 ' CE3' HG12 ' A' ' 74' ' ' VAL . 46.8 m0 -90.21 129.34 36.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.656 0.265 . . . . 0.0 110.828 178.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -90.73 116.19 65.86 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 173.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 42.7 Cg_endo -68.93 122.69 9.6 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.6 2.2 . . . . 0.0 112.065 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.7 m -117.33 176.62 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.119 0.485 . . . . 0.0 111.444 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -151.46 170.73 18.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.744 -174.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.96 -22.85 61.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.221 0.534 . . . . 0.0 109.754 173.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 m -63.04 -34.53 77.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.139 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.1 t -122.37 3.25 9.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.837 -174.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.8 p -62.19 -40.2 86.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-O 120.833 0.349 . . . . 0.0 110.922 -176.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -61.4 -53.46 56.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.091 0.472 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.68 -29.69 68.2 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.798 -176.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.632 ' O ' HG21 ' A' ' 34' ' ' VAL . 36.7 t90 -62.25 -56.01 22.76 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.3 -38.41 77.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 CA-C-O 121.036 0.446 . . . . 0.0 110.263 177.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -60.96 -44.87 96.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.363 178.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -81.0 -46.94 14.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.293 -171.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.632 HG21 ' O ' ' A' ' 30' ' ' TRP . 21.8 m -94.88 -35.02 5.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -175.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.07 -52.33 2.86 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.976 177.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.435 ' OD1' ' HA ' ' A' ' 99' ' ' THR . 14.5 m-20 -115.47 153.91 30.26 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.802 0.334 . . . . 0.0 111.109 -174.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.513 ' HA3' ' HH2' ' A' ' 30' ' ' TRP . . . 148.17 -167.09 28.98 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.828 177.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.481 HG13 ' HA ' ' A' ' 97' ' ' VAL . 15.8 m -140.27 146.7 24.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 117.04 0.42 . . . . 0.0 111.284 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.532 HG23 HG23 ' A' ' 83' ' ' ILE . 2.4 mp -118.16 124.6 73.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 173.29 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tt -96.62 118.02 32.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.715 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.482 ' HA ' ' HB2' ' A' ' 80' ' ' SER . 7.5 mp -86.03 129.08 34.95 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 178.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.624 ' HB3' ' HB3' ' A' ' 93' ' ' PRO . 46.6 t 65.53 104.36 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 O-C-N 123.917 0.761 . . . . 0.0 110.48 -175.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 m -52.51 -64.81 0.7 Allowed 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.738 -175.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -153.42 112.04 2.61 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-O 121.168 0.508 . . . . 0.0 111.19 -178.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -69.66 -38.81 7.49 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.933 2.422 . . . . 0.0 112.032 177.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.401 ' HB3' ' H ' ' A' ' 47' ' ' ARG . 79.9 mtt-85 56.11 -156.96 0.26 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.234 176.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.401 ' H ' ' HB3' ' A' ' 46' ' ' ARG . 53.4 mtm180 75.96 22.24 1.47 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.217 174.072 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.6 t -138.61 63.81 34.66 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-O 122.069 0.938 . . . . 0.0 109.444 176.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -84.2 42.82 1.25 Allowed 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.751 2.301 . . . . 0.0 113.887 -168.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.25 -49.2 9.0 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 171.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.1 m -83.35 -170.46 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.227 170.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.2 m -70.11 103.55 2.34 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 172.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -63.9 93.97 0.09 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.248 0.546 . . . . 0.0 110.028 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -175.04 144.44 0.82 Allowed Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 -176.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -68.16 59.03 0.96 Allowed 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 122.742 2.295 . . . . 0.0 113.22 177.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 m -83.33 111.97 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.337 0.589 . . . . 0.0 111.176 177.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.421 ' HB3' HD13 ' A' ' 58' ' ' ILE . 37.1 ttm 176.59 -59.6 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.756 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.421 HD13 ' HB3' ' A' ' 57' ' ' MET . 3.7 mp -65.96 -33.27 62.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.265 -178.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.463 ' O ' ' HG2' ' A' ' 63' ' ' ARG . . . -61.33 -51.23 69.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.623 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.567 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 2.2 mp0 -60.26 -43.25 96.33 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.694 178.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.9 mt -52.24 -51.24 59.49 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.26 0.553 . . . . 0.0 111.172 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 45.5 tp -61.98 -34.73 76.69 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.61 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 59' ' ' ALA . 24.1 mmt180 -75.97 -36.95 59.08 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -174.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.567 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 13.2 pt-20 -111.85 24.93 12.12 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -175.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -79.0 108.1 7.52 Favored Pre-proline 0 C--N 1.33 -0.243 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 177.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.447 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 90.3 Cg_endo -94.95 15.38 1.13 Allowed 'Trans proline' 0 N--CA 1.455 -0.765 0 C-N-CA 123.033 2.488 . . . . 0.0 113.306 -174.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.24 -66.49 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.649 -176.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.443 ' HE2' HG11 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -144.94 177.83 8.47 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -175.209 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -109.12 116.25 31.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.267 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -140.04 179.18 6.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.936 0.398 . . . . 0.0 111.611 -175.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -91.92 140.43 29.67 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.872 -174.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.9 p -110.87 130.97 63.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.046 176.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -143.41 143.28 31.56 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.091 0.472 . . . . 0.0 111.374 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.57 HG12 ' CE3' ' A' ' 19' ' ' TRP . 25.3 m -129.24 144.69 37.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 177.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.514 ' HB1' ' HB3' ' A' ' 80' ' ' SER . . . -103.76 156.51 17.76 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.851 -173.157 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.553 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 10.1 t70 -56.94 139.18 52.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.829 174.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.7 tt -52.56 -43.09 65.0 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.273 0.358 . . . . 0.0 110.995 -176.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -77.86 -53.37 7.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.974 0.416 . . . . 0.0 110.786 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.553 ' HB2' ' HB3' ' A' ' 76' ' ' ASP . 14.1 mm100 -62.63 -24.04 67.39 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -172.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.514 ' HB3' ' HB1' ' A' ' 75' ' ' ALA . 22.6 p -68.87 -20.73 64.27 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -176.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -65.04 -43.32 92.75 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.191 0.52 . . . . 0.0 109.883 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.2 -28.31 69.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.186 176.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.571 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 52.5 mt -65.41 -47.71 85.85 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.173 0 CA-C-O 120.904 0.383 . . . . 0.0 110.29 177.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.93 -40.51 99.37 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.387 -0.911 . . . . 0.0 111.594 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -65.09 -35.81 82.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.921 0.391 . . . . 0.0 110.853 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.571 ' HB3' ' O ' ' A' ' 83' ' ' ILE . 8.9 tpt180 -46.34 -48.23 18.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.279 175.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.483 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 9.1 m-85 -82.99 -77.71 0.23 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 177.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.483 ' HB2' ' O ' ' A' ' 87' ' ' PHE . 6.2 t30 171.16 24.96 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.218 -177.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 46.8 t -117.71 111.24 33.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 121.861 -0.524 . . . . 0.0 110.887 -172.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -137.92 86.07 2.15 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 175.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 -165.77 82.09 0.31 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.248 -176.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 69.63 163.9 0.14 Allowed Pre-proline 0 N--CA 1.469 0.513 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.171 175.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.624 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 22.8 Cg_exo -66.53 140.0 55.64 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.865 2.377 . . . . 0.0 112.287 177.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -157.19 161.31 39.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.421 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.8 m -109.04 120.15 41.68 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 177.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 82.4 mt -92.75 131.79 37.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.724 -177.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.481 ' HA ' HG13 ' A' ' 38' ' ' VAL . 58.6 t -97.53 114.29 34.29 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.805 -178.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -108.96 120.39 42.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.152 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.47 ' OG1' ' HG3' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -146.26 143.63 29.32 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.808 177.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.0 t70 72.04 10.84 6.1 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.723 0.773 . . . . 0.0 109.903 -178.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.08 4.17 90.33 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.544 -174.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -115.13 150.46 35.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.942 0.401 . . . . 0.0 111.08 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 45.8 tp -79.6 109.25 13.81 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 173.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.47 ' HG3' ' OG1' ' A' ' 99' ' ' THR . 22.0 mmm180 -94.56 -47.24 6.62 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.579 -169.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -155.11 179.47 31.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.259 -0.972 . . . . 0.0 112.241 -177.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -147.68 134.13 19.7 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.746 0.308 . . . . 0.0 110.738 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.61 103.29 2.48 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 177.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.7 m -107.97 118.25 36.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.678 -178.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 137.0 168.39 11.37 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.035 178.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 8.4 tp -77.08 -34.0 21.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-O 121.315 0.578 . . . . 0.0 110.503 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -165.05 88.38 1.01 Allowed Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 175.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.47 ' HB2' ' H ' ' A' ' 113' ' ' TRP . 6.8 Cg_exo -72.85 -94.86 0.01 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.658 2.239 . . . . 0.0 113.66 -172.145 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.767 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.2 OUTLIER 57.4 -163.2 0.19 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.887 -169.858 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 64.31 -73.09 0.05 Allowed 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 122.856 0.463 . . . . 0.0 111.635 -177.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.472 ' O ' HD22 ' A' ' 119' ' ' LEU . 12.4 pt-20 -75.42 -6.79 51.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.763 0.316 . . . . 0.0 110.343 178.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.767 HD12 ' HA ' ' A' ' 113' ' ' TRP . 2.1 mt -55.0 -33.62 62.76 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.231 176.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.92 -33.27 74.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.023 0.44 . . . . 0.0 110.454 178.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.9 m -74.44 -45.26 47.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.1 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.472 HD22 ' O ' ' A' ' 115' ' ' GLU . 3.5 mm? -60.07 -49.76 76.4 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.433 179.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 45.8 ttm -54.37 -45.76 72.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -178.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 -61.06 -54.7 41.48 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.238 178.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.9 m -58.81 -40.79 85.14 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.952 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.559 HG22 HG12 ' A' ' 124' ' ' VAL . 68.7 mt -74.01 -49.68 32.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.471 -178.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.559 HG12 HG22 ' A' ' 123' ' ' ILE . 3.1 m -140.58 86.14 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-O 121.727 0.775 . . . . 0.0 110.971 -175.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -69.92 -38.68 76.32 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.148 173.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 15.0 m 48.25 74.89 0.73 Allowed Pre-proline 0 CA--C 1.532 0.286 0 CA-C-N 114.74 -1.118 . . . . 0.0 111.97 176.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -69.39 102.4 0.96 Allowed 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.455 2.103 . . . . 0.0 111.592 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.413 ' HA ' ' OE1' ' A' ' 134' ' ' GLN . . . -70.07 124.98 25.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.734 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.589 ' HB3' HG23 ' A' ' 132' ' ' THR . . . -131.44 171.15 13.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.605 -178.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.405 HE21 ' HB3' ' A' ' 130' ' ' GLN . 0.4 OUTLIER -113.58 120.24 40.25 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.774 -172.16 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 61.1 27.26 17.1 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.406 0.683 . . . . 0.0 112.554 177.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.589 HG23 ' HB3' ' A' ' 129' ' ' ALA . 10.5 t -95.94 14.5 23.35 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.917 0.389 . . . . 0.0 110.291 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 21.9 t 64.37 57.11 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 122.125 0.964 . . . . 0.0 109.223 -175.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.413 ' OE1' ' HA ' ' A' ' 128' ' ' ALA . 27.9 tt0 . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.087 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.646 0.26 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.22 124.52 32.71 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 176.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -76.79 119.96 21.29 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.954 0.407 . . . . 0.0 111.105 -177.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -152.32 -71.83 0.15 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 174.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.411 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 28.0 m 63.2 92.92 0.06 OUTLIER Pre-proline 0 CA--C 1.531 0.231 0 CA-C-N 115.342 -0.844 . . . . 0.0 112.217 173.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 5' ' ' THR . 18.5 Cg_endo -60.62 -62.61 0.14 Allowed 'Trans proline' 0 CA--C 1.531 0.375 0 C-N-CA 122.295 1.996 . . . . 0.0 112.033 175.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -138.67 -105.22 0.18 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.902 0.382 . . . . 0.0 111.303 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.4 p -87.23 20.75 2.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.099 0.475 . . . . 0.0 112.24 -174.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.59 -28.27 68.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.46 -45.78 90.64 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.354 -177.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.482 ' CZ2' ' HG ' ' A' ' 15' ' ' LEU . 12.1 t-105 -58.27 -43.29 87.89 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.141 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -54.83 -38.55 67.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.487 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.47 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 2.2 mpt_? -74.74 -36.32 62.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.34 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 70.8 mt -68.26 -31.59 71.17 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.882 0.373 . . . . 0.0 110.928 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.482 ' HG ' ' CZ2' ' A' ' 11' ' ' TRP . 1.4 mt -58.26 -29.45 65.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.648 175.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.2 m -76.97 -50.3 13.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.836 175.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -159.93 109.5 1.81 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.446 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 141.44 113.77 1.03 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.039 -0.6 . . . . 0.0 112.045 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 45.0 m0 66.79 -176.52 0.2 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.949 0.404 . . . . 0.0 110.323 -178.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.424 ' O ' ' HB1' ' A' ' 73' ' ' ALA . 64.2 tt0 -125.88 125.77 24.85 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.469 -177.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.505 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 31.8 Cg_endo -67.58 105.35 1.07 Allowed 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.4 2.067 . . . . 0.0 111.615 174.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.516 HG22 HG13 ' A' ' 39' ' ' ILE . 9.8 m -81.17 151.41 4.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.813 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.44 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 37.7 mt-10 -131.11 160.44 34.69 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.843 -174.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.56 -27.58 60.57 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.023 0.439 . . . . 0.0 110.279 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.5 m -61.44 -28.76 69.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.672 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.9 t -136.07 18.64 3.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.833 0.349 . . . . 0.0 111.313 -174.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.44 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 8.8 p -63.7 -41.79 93.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -173.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -77.19 -35.94 55.33 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.902 -177.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.608 ' O ' ' HB2' ' A' ' 33' ' ' ARG . 18.2 t70 -61.86 -47.81 83.37 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 176.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.51 ' O ' HG23 ' A' ' 34' ' ' VAL . 61.2 t90 -54.75 -43.08 72.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.487 -178.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.539 HD11 ' CD1' ' A' ' 39' ' ' ILE . 33.9 mm -66.83 -55.02 19.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.965 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.507 ' HE3' ' HA ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -67.94 -20.26 65.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.191 0.52 . . . . 0.0 111.299 -176.806 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.608 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 23.3 ttt180 -70.19 -44.83 67.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.59 -178.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 30' ' ' TRP . 15.8 m -96.3 -32.58 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.692 -178.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.46 -53.48 0.73 Allowed Glycine 0 N--CA 1.453 -0.233 0 N-CA-C 111.671 -0.572 . . . . 0.0 111.671 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.406 ' OD1' ' HA ' ' A' ' 70' ' ' TRP . 1.4 p30 -119.95 154.51 34.37 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.686 0.279 . . . . 0.0 110.352 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.37 -166.07 37.6 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.606 -0.807 . . . . 0.0 111.761 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 96' ' ' LEU . 2.1 p -158.01 138.1 4.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.365 0.602 . . . . 0.0 111.577 -177.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.539 ' CD1' HD11 ' A' ' 31' ' ' ILE . 2.1 mp -112.21 119.66 60.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.257 174.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 tt -94.67 114.72 26.7 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 mp -82.9 125.34 31.25 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 178.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.411 ' C ' ' H ' ' A' ' 44' ' ' ASP . 72.9 m -84.72 -74.86 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.287 -175.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.6 m 71.71 -38.74 0.43 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.451 0.7 . . . . 0.0 112.629 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.411 ' H ' ' C ' ' A' ' 42' ' ' SER . 24.9 t70 70.78 109.35 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.458 0 C-N-CA 123.414 0.686 . . . . 0.0 110.378 -177.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -61.88 -30.78 84.47 Favored 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 122.738 2.292 . . . . 0.0 112.529 -177.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.6 ttp180 67.26 -62.45 0.32 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.702 0.801 . . . . 0.0 111.133 -178.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.501 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 9.8 tpt180 -73.3 140.41 46.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.339 178.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.3 m -101.71 99.83 12.8 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.081 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.501 ' HD3' ' O ' ' A' ' 47' ' ' ARG . 92.3 Cg_endo -94.67 175.09 1.21 Allowed 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 122.891 2.394 . . . . 0.0 112.293 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -65.0 132.57 49.59 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 174.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.8 t 60.65 74.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -169.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.0 m -73.62 134.9 43.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.462 -174.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.408 ' OD2' ' HG2' ' A' ' 93' ' ' PRO . 20.7 t70 -71.74 145.53 48.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.665 177.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -163.36 115.92 1.06 Allowed Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.44 42.62 0.68 Allowed 'Trans proline' 0 CA--C 1.533 0.433 0 C-N-CA 123.158 2.572 . . . . 0.0 113.655 -175.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.0 m -97.67 -31.12 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.382 0.61 . . . . 0.0 110.333 174.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.9 mtt -58.39 -33.76 69.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.391 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.3 mp -61.71 -35.46 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -177.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.17 -38.66 89.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 111.239 -177.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -75.41 -30.11 59.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.015 0.436 . . . . 0.0 110.195 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.64 -37.05 65.19 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.668 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.846 HD22 HG23 ' A' ' 72' ' ' VAL . 11.2 mp -46.44 -41.43 13.83 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.914 -0.585 . . . . 0.0 112.212 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 36.2 mtp85 -83.34 -27.24 29.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.963 0.411 . . . . 0.0 111.206 -173.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.444 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 30.3 mm-40 -94.26 2.7 55.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.534 -175.099 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -95.09 105.91 22.32 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.981 0.42 . . . . 0.0 110.34 178.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 10.7 Cg_endo -89.74 16.06 1.82 Allowed 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 123.596 2.864 . . . . 0.0 112.304 -177.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -99.79 -46.88 5.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.317 -175.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.687 ' HZ ' HG13 ' A' ' 124' ' ' VAL . 56.3 m-85 -132.42 165.88 23.28 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 121.313 0.578 . . . . 0.0 112.389 -169.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -115.31 32.71 5.88 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.497 -1.298 . . . . 0.0 107.497 169.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.406 ' HA ' ' OD1' ' A' ' 36' ' ' ASP . 0.2 OUTLIER -59.51 166.5 2.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 114.119 -1.4 . . . . 0.0 113.811 -170.129 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -92.94 117.73 30.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.613 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.846 HG23 HD22 ' A' ' 62' ' ' LEU . 28.0 m -95.5 134.49 32.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.393 -176.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.424 ' HB1' ' O ' ' A' ' 20' ' ' GLN . . . -144.26 172.7 12.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.397 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.505 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 2.1 p -145.13 144.04 21.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.157 -177.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.23 152.71 20.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.909 -177.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -69.12 163.24 25.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.769 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.9 tt -54.92 -60.32 3.53 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.932 -175.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -70.51 -38.68 74.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.754 0.312 . . . . 0.0 111.172 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -61.89 -24.66 67.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.595 -178.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.3 t -53.75 -39.97 65.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.915 174.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -63.53 -46.63 85.15 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.881 0.372 . . . . 0.0 110.363 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.96 96.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.347 -178.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.454 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 60.6 mt -69.54 -41.93 80.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.382 179.194 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.43 -39.76 97.18 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.843 178.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -63.29 -31.66 72.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.044 0.45 . . . . 0.0 110.923 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.454 ' HB3' ' O ' ' A' ' 83' ' ' ILE . 8.7 tpt180 -46.65 -46.16 19.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.367 176.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.496 ' CD1' ' HB ' ' A' ' 89' ' ' VAL . 1.5 p90 -122.43 14.61 10.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.926 -177.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.8 t30 62.9 27.89 16.15 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.501 0.667 . . . . 0.0 111.8 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.496 ' HB ' ' CD1' ' A' ' 87' ' ' PHE . 59.6 t -117.43 94.31 3.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.188 0.518 . . . . 0.0 110.087 177.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -132.26 14.17 4.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.17 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 33.6 mtp85 -81.33 101.55 9.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.073 -174.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 71.33 156.31 0.16 Allowed Pre-proline 0 N--CA 1.468 0.448 0 O-C-N 124.301 1.001 . . . . 0.0 110.735 -176.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.408 ' HG2' ' OD2' ' A' ' 53' ' ' ASP . 19.2 Cg_exo -66.39 105.35 0.87 Allowed 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.117 1.878 . . . . 0.0 110.923 175.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -110.36 146.51 35.67 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.313 -173.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.6 m -107.11 115.43 30.16 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 175.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.472 ' O ' HG23 ' A' ' 38' ' ' VAL . 94.1 mt -93.12 135.96 33.83 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -171.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 62.0 t -92.06 120.93 42.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.485 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.4 ' CZ ' HD12 ' A' ' 103' ' ' LEU . 95.4 m-85 -121.89 114.48 21.08 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.462 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 72.2 p -138.36 165.42 26.81 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 169.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 65.21 12.24 7.86 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.805 0.336 . . . . 0.0 110.602 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 69.79 16.0 71.87 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.021 -0.609 . . . . 0.0 111.888 -171.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -123.11 170.9 9.73 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.889 0.376 . . . . 0.0 110.792 -177.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.4 HD12 ' CZ ' ' A' ' 98' ' ' PHE . 55.6 tp -91.9 114.53 27.1 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 174.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.448 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 0.8 OUTLIER -95.93 -34.29 11.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.359 -173.302 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 171.11 -152.61 18.71 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.671 -178.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -150.3 160.06 43.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.749 0.275 . . . . 0.0 110.8 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.12 91.51 8.45 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 175.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.5 m -113.25 93.2 4.29 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.481 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -74.3 124.79 8.42 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.005 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.711 HG23 ' HD2' ' A' ' 111' ' ' HIS . 16.3 tt -106.38 -23.46 4.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.576 0.703 . . . . 0.0 109.607 178.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.711 ' HD2' HG23 ' A' ' 110' ' ' ILE . 39.7 m-70 -127.82 162.3 50.31 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 174.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -69.51 85.08 0.59 Allowed 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.134 1.889 . . . . 0.0 111.488 173.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 67.9 -170.74 0.19 Allowed 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.651 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 78.22 -54.19 0.49 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.885 0.874 . . . . 0.0 111.814 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.549 ' CG ' ' HB2' ' A' ' 111' ' ' HIS . 0.0 OUTLIER -76.73 -22.26 54.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.573 0.225 . . . . 0.0 111.311 -178.253 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.9 mt -56.5 -32.82 65.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.339 175.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.73 -35.92 82.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.201 0.524 . . . . 0.0 110.074 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.5 m -79.08 -39.0 34.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.138 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.4 -48.69 79.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.522 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.412 ' HE1' ' HB3' ' A' ' 120' ' ' MET . 13.8 tmm? -57.34 -48.25 79.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.491 178.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -24.97 64.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.773 -177.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 19.2 t -76.98 -37.23 55.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.792 0.329 . . . . 0.0 111.08 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 83.8 mt -78.98 -49.82 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.844 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.687 HG13 ' HZ ' ' A' ' 68' ' ' PHE . 5.8 m -125.97 73.7 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.772 0.796 . . . . 0.0 110.588 -178.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -54.79 -46.98 74.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.059 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 21.7 m 64.19 92.04 0.07 OUTLIER Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.142 174.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -78.99 105.56 1.95 Allowed 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 122.48 2.12 . . . . 0.0 111.58 175.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 73.29 158.3 0.2 Allowed 'General case' 0 N--CA 1.469 0.487 0 O-C-N 123.846 0.716 . . . . 0.0 111.388 -177.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . 65.49 22.81 11.86 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.505 0.669 . . . . 0.0 110.328 -175.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -96.21 107.66 20.03 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.396 -175.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.466 ' C ' ' HG1' ' A' ' 132' ' ' THR . 29.7 tt0 -75.05 -66.34 0.77 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.224 -0.191 . . . . 0.0 110.562 178.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.466 ' HG1' ' C ' ' A' ' 131' ' ' GLU . 26.0 p 52.76 -91.26 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.741 0.816 . . . . 0.0 112.466 -175.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 34.0 t 57.2 74.79 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 121.606 0.717 . . . . 0.0 109.686 -174.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 . . . . . 0 C--N 1.32 -0.694 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.657 -176.344 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.9 mtp . . . . . 0 N--CA 1.478 0.946 0 CA-C-O 120.761 0.315 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.73 101.59 12.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.077 176.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -117.36 103.32 10.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.14 0.495 . . . . 0.0 110.135 -177.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.555 ' HB3' ' HG3' ' A' ' 6' ' ' PRO . 15.4 t70 -86.79 -21.82 26.27 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.834 176.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.454 ' N ' ' HD3' ' A' ' 6' ' ' PRO . 5.3 m 57.82 59.89 6.56 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.407 -170.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.802 ' HG2' ' HB2' ' A' ' 9' ' ' ALA . 7.1 Cg_endo -90.44 -3.35 5.13 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 123.51 2.807 . . . . 0.0 113.215 -171.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 72.87 -46.35 0.65 Allowed 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.765 0.826 . . . . 0.0 111.369 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.633 ' HB2' ' HB2' ' A' ' 11' ' ' TRP . 36.0 p -152.78 68.45 0.83 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.043 0.449 . . . . 0.0 110.956 179.076 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.802 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -69.5 -50.68 42.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.656 -179.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.595 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 47.4 tp -67.76 -31.65 71.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.094 -178.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.633 ' HB2' ' HB2' ' A' ' 8' ' ' SER . 0.0 OUTLIER -53.72 -35.59 61.35 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 122.894 0.478 . . . . 0.0 111.211 -179.094 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -62.19 -45.45 93.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.143 0.497 . . . . 0.0 110.519 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.466 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 32.4 mmt180 -73.87 -27.53 61.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.212 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 56.2 mt -63.27 -38.54 91.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.075 0.464 . . . . 0.0 109.868 175.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.484 HD23 ' HZ3' ' A' ' 11' ' ' TRP . 59.8 mt -67.26 -25.34 66.02 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.274 175.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 30.6 m -63.93 -43.71 95.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.894 -178.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.97 131.19 6.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.746 0.308 . . . . 0.0 110.914 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.53 -77.85 0.38 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.767 172.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.53 ' CD1' HD21 ' A' ' 14' ' ' LEU . 59.6 m95 -69.31 125.95 28.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.439 0.638 . . . . 0.0 111.52 -171.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.631 HE21 ' HA ' ' A' ' 20' ' ' GLN . 0.1 OUTLIER -119.14 130.67 24.71 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.811 177.301 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.652 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 21.0 Cg_exo -65.55 111.73 1.95 Allowed 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.438 2.092 . . . . 0.0 111.791 176.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.478 HG11 ' HB2' ' A' ' 73' ' ' ALA . 4.6 m -81.01 -177.83 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.529 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.449 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 45.6 mt-10 -140.34 167.8 21.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.389 -173.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.404 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -72.68 -65.32 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -173.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.6 m -80.01 3.43 20.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.839 0.352 . . . . 0.0 111.052 -174.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.5 m -124.85 8.94 8.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.188 0.518 . . . . 0.0 110.598 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.505 ' O ' HG12 ' A' ' 31' ' ' ILE . 14.7 p -68.64 -41.26 82.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.729 -177.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -77.13 -26.11 52.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.233 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -67.87 -39.6 83.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.057 176.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.453 ' O ' HG23 ' A' ' 34' ' ' VAL . 63.3 t90 -67.17 -43.12 83.01 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.34 176.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.505 HG12 ' O ' ' A' ' 27' ' ' VAL . 40.6 mm -61.15 -44.08 97.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 110.832 178.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.466 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -66.89 -23.78 66.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 176.854 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -80.78 -45.59 16.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.218 0.533 . . . . 0.0 111.031 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.625 ' HB ' ' NE2' ' A' ' 71' ' ' GLN . 33.5 m -89.96 -32.64 5.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.175 -175.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.15 -56.59 3.24 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 112.107 -0.397 . . . . 0.0 112.107 178.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -131.52 116.46 17.47 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.02 0.438 . . . . 0.0 110.415 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.31 -167.13 29.44 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.01 -177.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.542 ' HB ' ' CZ3' ' A' ' 70' ' ' TRP . 2.7 p -151.14 141.49 15.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.257 0.551 . . . . 0.0 112.138 -177.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.451 ' CD1' HD13 ' A' ' 31' ' ' ILE . 2.0 mp -110.11 122.99 65.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 174.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.484 ' HG ' HD11 ' A' ' 58' ' ' ILE . 1.2 tm? -96.94 119.17 34.92 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 176.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.427 ' HB3' ' OG ' ' A' ' 80' ' ' SER . 6.0 mp -99.68 150.01 22.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.063 -172.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.9 m 72.91 137.73 0.05 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.159 -0.928 . . . . 0.0 112.888 173.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.401 ' O ' ' HG3' ' A' ' 55' ' ' PRO . 16.8 p -94.3 -7.6 41.44 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.422 178.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.408 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 5.7 p-10 -166.8 153.38 8.16 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.703 -176.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.692 ' HA ' ' HG3' ' A' ' 93' ' ' PRO . 2.5 Cg_endo -85.06 -166.24 0.34 Allowed 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.009 2.473 . . . . 0.0 111.725 178.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -83.02 47.01 1.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.726 0.775 . . . . 0.0 109.509 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 47' ' ' ARG . 13.8 ttm-85 -169.82 155.82 5.98 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 -176.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.426 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 5.3 t -61.59 134.34 93.69 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 120.87 0.367 . . . . 0.0 110.445 176.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.473 ' HB2' ' HA ' ' A' ' 52' ' ' SER . 7.0 Cg_exo -74.01 -3.42 13.76 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.919 2.413 . . . . 0.0 112.502 -178.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 64.94 -81.19 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.247 0 O-C-N 123.743 0.652 . . . . 0.0 111.35 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.78 -35.88 73.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.961 0.41 . . . . 0.0 109.899 177.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.473 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 16.0 m 56.16 60.91 2.95 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.235 -0.893 . . . . 0.0 113.023 172.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -154.85 97.83 1.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.942 174.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 63.94 94.44 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.382 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.488 173.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.401 ' HG3' ' O ' ' A' ' 43' ' ' SER . 62.9 Cg_endo -86.21 42.8 1.0 Allowed 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.653 2.236 . . . . 0.0 111.961 178.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.5 m -94.93 106.21 17.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.793 0.806 . . . . 0.0 111.636 -176.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.508 ' HG2' HD22 ' A' ' 61' ' ' LEU . 48.8 ttm -84.01 -21.01 31.81 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.691 178.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.484 HD11 ' HG ' ' A' ' 40' ' ' LEU . 2.2 mp -63.42 -28.68 45.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 114.955 -1.021 . . . . 0.0 111.053 -177.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.7 -49.41 70.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.223 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -75.66 -45.62 36.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.171 0.51 . . . . 0.0 110.087 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.508 HD22 ' HG2' ' A' ' 57' ' ' MET . 1.5 mm? -53.26 -44.09 67.92 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.085 -178.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.5 tp -48.92 -50.05 37.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.234 -175.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -88.33 3.18 50.64 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -172.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -121.7 4.78 10.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.249 0.547 . . . . 0.0 110.015 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.435 ' CD2' ' HB2' ' A' ' 67' ' ' GLN . 1.3 t80 -80.2 113.38 38.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.737 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.38 -12.13 27.14 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.834 2.356 . . . . 0.0 112.678 -175.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.443 ' OE1' ' HB ' ' A' ' 126' ' ' THR . 47.8 mm-40 -74.07 -67.52 0.6 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -167.39 -178.91 4.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.043 0.449 . . . . 0.0 111.621 -173.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -109.73 138.49 46.01 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 169.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.542 ' CZ3' ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -141.73 160.45 40.15 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.056 -168.549 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.625 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 36.1 mt-30 -78.26 113.17 15.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.017 -171.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.8 m -92.23 140.81 15.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.739 -174.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.478 ' HB2' HG11 ' A' ' 22' ' ' VAL . . . -143.34 150.67 39.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.708 177.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.652 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 10.8 p -145.18 158.22 13.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -178.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.42 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . . . -114.57 170.14 8.53 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 177.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -64.71 -67.21 0.45 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.997 0.427 . . . . 0.0 109.864 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.47 ' HG ' ' N ' ' A' ' 78' ' ' GLU . 2.5 pt? -174.45 -45.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.229 177.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.47 ' N ' ' HG ' ' A' ' 77' ' ' LEU . 36.6 tt0 -64.88 -38.41 90.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.261 -175.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.42 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . 21.4 mp0 -61.35 -27.76 68.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.412 -177.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.427 ' OG ' ' HB3' ' A' ' 41' ' ' LEU . 30.3 t -52.69 -36.7 57.71 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 123.237 0.336 . . . . 0.0 111.878 -175.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -70.87 -54.8 10.16 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.552 -178.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.19 -39.45 92.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.906 -178.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 67.5 mt -60.65 -44.45 97.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-O 121.175 0.512 . . . . 0.0 110.213 177.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.403 ' HA3' ' H ' ' A' ' 90' ' ' ARG . . . -71.32 -28.5 69.76 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.192 177.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -71.09 -28.88 64.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.941 0.401 . . . . 0.0 110.599 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -44.45 -36.56 2.96 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.901 175.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.576 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 0.1 OUTLIER -109.03 -75.04 0.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 170.571 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.576 ' HB2' ' O ' ' A' ' 87' ' ' PHE . 34.9 t-20 167.14 75.59 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.393 0.677 . . . . 0.0 109.983 172.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 96.0 t -141.1 -50.44 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.801 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.403 ' H ' ' HA3' ' A' ' 84' ' ' GLY . 99.6 mtt180 69.4 -158.75 0.17 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.12 -179.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.35 92.29 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.497 0.665 . . . . 0.0 112.656 -173.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -134.79 123.58 16.17 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 114.854 -1.066 . . . . 0.0 108.836 170.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.692 ' HG3' ' HA ' ' A' ' 45' ' ' PRO . 19.6 Cg_endo -61.46 100.89 0.19 Allowed 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.432 2.088 . . . . 0.0 112.339 -178.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -158.87 169.25 24.77 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.802 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 47.9 m -110.81 116.92 32.1 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.493 -178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.422 ' O ' HG23 ' A' ' 38' ' ' VAL . 85.4 mt -96.85 124.72 40.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.847 0.356 . . . . 0.0 110.28 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.41 ' CG2' HD21 ' A' ' 107' ' ' LEU . 74.9 t -92.42 117.65 36.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.784 -177.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.404 ' CZ ' HD11 ' A' ' 103' ' ' LEU . 94.7 m-85 -113.21 105.45 13.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.331 179.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.623 ' OG1' ' HG3' ' A' ' 104' ' ' ARG . 62.3 p -133.55 167.12 21.05 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.436 ' HB2' ' O ' ' A' ' 99' ' ' THR . 11.5 m-20 68.47 9.07 7.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.722 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.22 8.18 81.96 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.537 -175.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -142.7 174.56 10.54 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 117.374 0.587 . . . . 0.0 112.2 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.404 HD11 ' CZ ' ' A' ' 98' ' ' PHE . 58.9 tp -79.63 127.3 32.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.62 174.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.676 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 1.2 mmp_? -105.65 -47.09 3.99 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.385 -176.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.696 ' HA3' HD13 ' A' ' 123' ' ' ILE . . . -174.94 -164.96 30.53 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.358 -0.925 . . . . 0.0 112.555 -178.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -134.68 147.11 50.04 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.635 0.255 . . . . 0.0 111.055 -177.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.833 HD13 HD23 ' A' ' 116' ' ' LEU . 4.1 mm? -115.9 154.8 29.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.793 178.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.7 m -110.45 -63.72 1.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.698 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.516 ' HA2' ' HG ' ' A' ' 116' ' ' LEU . . . 80.03 -70.81 2.86 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 111.67 -0.572 . . . . 0.0 111.67 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 48.8 mt 67.12 -72.98 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.141 0.576 . . . . 0.0 110.95 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.664 ' HB2' ' HD3' ' A' ' 112' ' ' PRO . 27.3 m80 -152.25 -57.85 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.375 0 C-N-CA 122.576 0.35 . . . . 0.0 111.154 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.664 ' HD3' ' HB2' ' A' ' 111' ' ' HIS . 9.2 Cg_endo -88.87 149.0 5.86 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 122.511 2.14 . . . . 0.0 112.352 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.407 ' CH2' HD12 ' A' ' 61' ' ' LEU . 2.0 t-105 -80.4 35.89 0.35 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.172 0.51 . . . . 0.0 110.273 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.37 -48.69 15.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.472 -174.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.41 -22.47 17.14 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.871 -177.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.833 HD23 HD13 ' A' ' 107' ' ' LEU . 46.0 mt -53.22 -46.17 68.97 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.768 175.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.39 -44.15 95.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.003 0.43 . . . . 0.0 109.944 -179.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.2 m -67.33 -51.19 55.45 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.593 -178.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.71 -42.19 91.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 -176.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 54.9 ttp -56.04 -41.72 75.42 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.151 177.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -60.63 -39.62 88.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.016 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.5 t -76.12 -44.52 38.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.224 -178.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.696 HD13 ' HA3' ' A' ' 105' ' ' GLY . 51.3 mm -75.48 -49.2 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.33 -175.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.9 m -136.76 77.35 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.184 0.516 . . . . 0.0 110.386 -178.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -56.75 -58.35 8.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.366 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.443 ' HB ' ' OE1' ' A' ' 67' ' ' GLN . 8.9 m 36.5 78.58 0.34 Allowed Pre-proline 0 N--CA 1.467 0.38 0 O-C-N 124.633 1.208 . . . . 0.0 112.883 175.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -77.0 -16.99 15.62 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.082 1.855 . . . . 0.0 112.231 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 68.42 -62.96 0.36 Allowed 'General case' 0 N--CA 1.467 0.418 0 O-C-N 124.049 0.843 . . . . 0.0 110.655 -176.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -161.41 -88.33 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 174.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -150.41 127.73 11.37 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 172.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -90.18 148.2 23.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.909 0.385 . . . . 0.0 110.717 -176.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 23.7 m -91.58 119.32 31.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.032 -178.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 18.3 m -106.43 131.9 54.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 171.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.409 -174.805 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.2 ptt? . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 67.4 -73.84 0.08 Allowed 'General case' 0 N--CA 1.469 0.511 0 O-C-N 123.933 0.77 . . . . 0.0 111.173 -177.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 61.34 26.02 15.89 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.015 0.526 . . . . 0.0 111.163 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -154.79 153.91 31.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.046 -178.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 p -110.95 92.15 14.31 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 120.817 0.341 . . . . 0.0 110.962 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -93.72 4.37 3.0 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 123.167 2.578 . . . . 0.0 113.379 -176.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 60.65 -166.68 0.2 Allowed 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 122.458 0.303 . . . . 0.0 110.513 -177.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.8 m 61.35 -80.08 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.217 0.607 . . . . 0.0 112.56 175.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.568 ' O ' ' HG2' ' A' ' 13' ' ' ARG . . . -59.15 -28.86 66.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.334 -177.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.5 tp -59.63 -41.12 89.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.583 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 27.1 t-105 -66.89 -43.2 84.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.924 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -59.87 -36.29 76.59 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.275 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.568 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 22.3 mmt180 -64.21 -28.78 69.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.983 -178.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.1 mt -68.16 -42.67 79.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.869 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.671 ' HA ' ' O ' ' A' ' 18' ' ' GLY . 11.3 mp -60.94 -26.13 67.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.718 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.3 m -62.7 -37.94 88.46 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 120.875 0.369 . . . . 0.0 110.264 178.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -80.06 -38.62 31.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.276 0.56 . . . . 0.0 110.134 174.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.671 ' O ' ' HA ' ' A' ' 15' ' ' LEU . . . 158.04 -108.09 0.35 Allowed Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 -178.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.441 ' HE3' ' HB ' ' A' ' 74' ' ' VAL . 25.2 m95 60.14 107.71 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.85 0.834 . . . . 0.0 112.417 173.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -94.32 113.78 61.68 Favored Pre-proline 0 C--N 1.31 -1.115 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.879 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.543 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 9.7 Cg_exo -68.58 109.88 2.17 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 122.2 1.934 . . . . 0.0 111.159 177.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.455 HG12 ' HB2' ' A' ' 73' ' ' ALA . 5.8 m -92.21 -177.96 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.653 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -141.81 167.66 21.6 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.389 -172.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.49 -38.08 41.72 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.203 176.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.8 m -80.2 -9.74 59.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.232 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 m -122.99 1.83 9.29 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -174.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.6 p -68.02 -37.56 78.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 O-C-N 121.994 -0.441 . . . . 0.0 111.308 -177.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -67.42 -48.85 66.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.399 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -71.57 -32.45 68.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.521 -176.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.508 ' O ' HG21 ' A' ' 34' ' ' VAL . 36.0 t90 -64.43 -49.9 69.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.59 0.233 . . . . 0.0 110.451 -179.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.417 HD13 ' CD1' ' A' ' 39' ' ' ILE . 45.9 mm -62.44 -38.68 81.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.185 0.517 . . . . 0.0 110.112 177.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -58.06 -38.76 76.94 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.026 176.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -80.93 -47.17 14.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.101 -171.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.508 HG21 ' O ' ' A' ' 30' ' ' TRP . 30.2 m -95.42 -46.6 13.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -175.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.22 -56.02 2.1 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 121.064 -0.589 . . . . 0.0 112.148 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -103.05 129.77 49.96 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.701 0.286 . . . . 0.0 110.771 -176.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.37 179.94 38.82 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.188 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.522 HG11 ' HA ' ' A' ' 97' ' ' VAL . 10.3 m -136.07 125.9 40.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.728 0.299 . . . . 0.0 111.491 -177.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.43 HG21 HD13 ' A' ' 41' ' ' LEU . 2.3 mp -98.15 121.05 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 tt -89.98 113.22 24.84 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 175.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.43 HD13 HG21 ' A' ' 39' ' ' ILE . 7.9 mp -86.39 125.76 33.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.988 -177.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.575 ' HB3' ' HB3' ' A' ' 93' ' ' PRO . 35.3 t 68.87 151.6 0.09 Allowed 'General case' 0 CA--C 1.53 0.205 0 O-C-N 124.067 0.854 . . . . 0.0 111.806 178.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.1 m -90.26 119.23 30.39 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.7 t70 75.12 140.71 0.08 OUTLIER Pre-proline 0 N--CA 1.469 0.506 0 O-C-N 123.998 0.812 . . . . 0.0 110.695 -178.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.504 ' HA ' ' HB2' ' A' ' 93' ' ' PRO . 37.2 Cg_endo -65.28 1.22 2.15 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 123.1 2.533 . . . . 0.0 113.455 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 69.35 20.69 7.26 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 123.015 0.526 . . . . 0.0 110.838 173.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -77.4 -52.89 8.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.765 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.1 m 60.05 71.69 0.85 Allowed Pre-proline 0 CA--C 1.537 0.442 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.708 -177.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.752 ' HD2' ' HA ' ' A' ' 52' ' ' SER . 39.0 Cg_endo -70.88 -27.24 21.39 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.195 1.93 . . . . 0.0 111.986 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -174.09 -72.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.828 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.0 p -99.45 -10.56 8.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 176.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.752 ' HA ' ' HD2' ' A' ' 49' ' ' PRO . 15.3 m 72.65 95.29 0.07 Allowed 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 114.739 -1.119 . . . . 0.0 110.526 -178.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -75.14 94.4 2.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.309 178.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -63.85 136.07 96.57 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.886 -175.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -69.42 97.27 0.6 Allowed 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.914 2.409 . . . . 0.0 112.939 -176.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.6 t -103.88 -12.76 9.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.467 0.651 . . . . 0.0 109.292 176.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.465 ' O ' ' HB2' ' A' ' 61' ' ' LEU . 60.5 mmm -56.78 -20.2 21.08 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.085 -0.961 . . . . 0.0 113.157 -177.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.524 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 5.2 mp -68.18 -21.61 26.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-O 120.995 0.426 . . . . 0.0 110.525 -176.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.28 -57.08 11.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.823 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -70.66 -30.29 66.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.717 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.524 ' HB2' ' HA ' ' A' ' 58' ' ' ILE . 0.6 OUTLIER -52.96 -33.13 49.63 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.515 -177.818 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 tt -46.43 -53.74 10.48 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.652 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -90.1 -3.04 58.15 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -178.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -74.86 -20.66 59.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.988 0.423 . . . . 0.0 109.894 174.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.413 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 4.9 t80 -74.54 116.97 58.35 Favored Pre-proline 0 N--CA 1.451 -0.396 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 65' ' ' PHE . 2.8 Cg_exo -75.79 16.06 0.82 Allowed 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 123.55 2.834 . . . . 0.0 113.445 -174.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -109.9 -69.53 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -153.7 167.34 29.91 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -172.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -86.67 109.7 19.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.582 174.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -105.9 158.31 16.86 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.032 0.444 . . . . 0.0 111.267 178.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -76.33 110.0 10.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.396 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.9 t -76.12 118.98 23.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.039 175.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.455 ' HB2' HG12 ' A' ' 22' ' ' VAL . . . -118.33 143.58 46.5 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.93 -178.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.543 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 3.2 p -126.76 131.75 70.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.802 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.428 ' HB3' HG22 ' A' ' 22' ' ' VAL . . . -112.67 144.65 41.81 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.911 0.386 . . . . 0.0 111.26 -177.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.478 ' HB3' ' OE1' ' A' ' 79' ' ' GLN . 14.1 t70 -67.16 154.1 42.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.038 175.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.534 HD12 ' N ' ' A' ' 78' ' ' GLU . 2.6 pp -59.76 -31.01 69.26 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -175.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.534 ' N ' HD12 ' A' ' 77' ' ' LEU . 29.9 tt0 -73.47 -45.71 52.55 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.214 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.478 ' OE1' ' HB3' ' A' ' 76' ' ' ASP . 1.5 mp0 -64.33 -35.09 79.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.727 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.8 m -61.99 -29.01 69.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.922 -178.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -65.74 -44.25 86.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.034 0.445 . . . . 0.0 110.234 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.14 -41.84 66.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.721 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 84.7 mt -59.37 -43.4 90.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.184 0.516 . . . . 0.0 110.135 176.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.536 ' HA2' HG13 ' A' ' 89' ' ' VAL . . . -67.4 -28.39 73.64 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.66 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -77.03 -31.61 56.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.818 0.342 . . . . 0.0 110.906 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -44.92 -45.6 10.48 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.493 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -124.03 11.41 8.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.196 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 66.7 t30 56.21 68.18 0.9 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.788 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.536 HG13 ' HA2' ' A' ' 84' ' ' GLY . 6.5 p -110.32 12.26 8.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.138 178.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -55.18 101.41 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.445 -177.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -149.22 -69.93 0.21 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.525 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -149.99 154.02 36.41 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.28 177.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.575 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 32.0 Cg_exo -59.19 116.99 3.66 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.582 2.188 . . . . 0.0 111.833 177.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -140.71 171.79 13.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.554 -176.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.483 HG21 ' HB ' ' A' ' 38' ' ' VAL . 10.1 m -108.05 120.71 43.1 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 176.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 94.3 mt -91.57 134.01 35.04 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 120.704 -0.399 . . . . 0.0 111.108 -174.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.522 ' HA ' HG11 ' A' ' 38' ' ' VAL . 67.1 t -98.64 114.2 35.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.919 -176.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.407 ' CE1' HD12 ' A' ' 39' ' ' ILE . 44.3 m-85 -109.36 120.98 44.16 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.549 179.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.2 p -124.31 127.16 47.21 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.256 178.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.3 t70 68.09 10.88 8.1 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.553 0.692 . . . . 0.0 110.31 -177.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 93.61 -5.97 73.96 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.441 -174.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -100.3 133.85 44.11 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 120.914 0.388 . . . . 0.0 110.447 -178.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 61.2 tp -86.51 108.61 18.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.874 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.9 mtp180 -94.24 -35.0 12.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.564 -177.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -175.83 -154.57 11.63 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 119.999 -1.096 . . . . 0.0 113.105 -177.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -133.46 161.34 34.84 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.908 0.385 . . . . 0.0 111.111 -176.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.17 74.86 2.26 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 45.7 m -155.67 137.23 14.15 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.057 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -157.41 -159.1 9.31 Favored Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.81 -0.709 . . . . 0.0 111.781 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.524 ' O ' ' HB2' ' A' ' 111' ' ' HIS . 41.2 mm -101.27 144.49 12.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.524 ' HB2' ' O ' ' A' ' 110' ' ' ILE . 81.2 m-70 79.13 151.15 0.12 Allowed Pre-proline 0 N--CA 1.47 0.558 0 O-C-N 123.988 0.805 . . . . 0.0 110.538 -174.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -76.07 4.86 4.92 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 123.026 2.484 . . . . 0.0 113.092 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 29.6 t-105 -176.15 176.7 1.68 Allowed 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 177.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 74.91 18.96 2.51 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.994 0.809 . . . . 0.0 110.512 -178.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.5 -39.46 9.14 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.011 179.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 70.1 mt -50.73 -44.78 58.33 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.041 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -56.93 -42.87 80.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.068 0.461 . . . . 0.0 111.24 -176.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.3 m -77.53 -37.39 51.01 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.984 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 91.2 mt -71.56 -43.37 66.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.575 -177.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 26.2 ptm -61.49 -42.76 99.29 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.884 -176.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.439 ' HA ' ' HB2' ' A' ' 125' ' ' ASP . 8.1 mmm180 -52.09 -44.34 64.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.016 0.436 . . . . 0.0 111.38 -178.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 42.4 t -76.54 -53.71 7.69 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.984 178.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.586 HG23 HG22 ' A' ' 124' ' ' VAL . 61.8 mt -88.62 -52.0 11.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -167.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.586 HG22 HG23 ' A' ' 123' ' ' ILE . 21.3 t -139.37 77.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.166 0.508 . . . . 0.0 110.427 -175.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.439 ' HB2' ' HA ' ' A' ' 121' ' ' ARG . 36.1 t70 -102.03 -60.09 1.59 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.708 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 44.9 m 71.98 128.79 0.03 OUTLIER Pre-proline 0 CA--C 1.529 0.171 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.433 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -65.95 81.03 0.27 Allowed 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.288 1.992 . . . . 0.0 111.988 174.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.93 -41.9 74.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.321 175.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -98.22 -69.11 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.326 172.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.64 108.16 0.03 OUTLIER 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 175.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -166.8 107.73 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.802 -177.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.655 HG23 HG22 ' A' ' 133' ' ' VAL . 34.7 m 70.55 131.5 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.337 0 O-C-N 123.664 0.603 . . . . 0.0 111.977 174.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.655 HG22 HG23 ' A' ' 132' ' ' THR . 86.4 t 75.74 -36.95 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 123.137 0.575 . . . . 0.0 111.341 178.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.426 ' H ' ' C ' ' A' ' 132' ' ' THR . 50.2 tt0 . . . . . 0 N--CA 1.465 0.275 0 C-N-CA 123.454 0.702 . . . . 0.0 110.267 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptt? . . . . . 0 N--CA 1.483 1.185 0 N-CA-C 110.682 -0.118 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 55.86 97.39 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.321 0.648 . . . . 0.0 111.948 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 41.1 t30 56.43 75.84 0.33 Allowed 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 -171.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -118.22 95.24 4.8 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.314 -166.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 m 61.71 95.93 0.05 OUTLIER Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.54 171.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -74.15 108.68 2.72 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.152 1.901 . . . . 0.0 111.608 175.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -136.01 151.51 49.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.002 0.429 . . . . 0.0 111.48 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.0 m -78.76 -9.54 59.47 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.447 0.641 . . . . 0.0 110.199 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 -26.0 61.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.296 177.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.557 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 47.4 tp -55.26 -30.72 60.65 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.422 -179.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -55.14 -39.76 69.81 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.961 0.41 . . . . 0.0 110.613 178.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -63.21 -40.56 97.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.805 0.336 . . . . 0.0 110.271 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -69.62 -41.45 75.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.039 177.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 86.6 mt -60.93 -44.83 96.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.571 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.98 -27.05 68.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.809 178.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 54.7 m -75.26 -27.08 59.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -140.66 97.18 3.15 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.601 -0.439 . . . . 0.0 112.038 -173.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.9 -63.77 1.49 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.775 -0.726 . . . . 0.0 114.228 169.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 32.2 m95 -60.53 125.0 22.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.323 0.583 . . . . 0.0 111.964 -171.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -102.01 125.98 35.13 Favored Pre-proline 0 N--CA 1.449 -0.505 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.203 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.73 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 10.8 Cg_exo -70.69 119.52 6.4 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.635 2.223 . . . . 0.0 111.339 172.168 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.401 HG21 HG13 ' A' ' 39' ' ' ILE . 10.9 m -105.51 166.28 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.43 0.633 . . . . 0.0 112.001 -177.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.451 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 41.9 mt-10 -139.94 162.1 36.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.525 -174.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.13 -18.32 63.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.049 0.452 . . . . 0.0 111.384 -178.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.8 p -84.12 -61.53 1.79 Allowed 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.281 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.0 t -71.11 -18.92 62.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.994 -175.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.451 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 8.2 p -62.6 -26.86 41.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-O 120.722 0.296 . . . . 0.0 110.955 -177.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.416 ' HB2' ' NH2' ' A' ' 86' ' ' ARG . 10.3 t70 -61.85 -49.57 75.71 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.205 0.526 . . . . 0.0 110.045 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.513 ' O ' ' HB2' ' A' ' 33' ' ' ARG . 28.9 t70 -75.54 -36.7 60.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.192 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.433 ' O ' HG22 ' A' ' 34' ' ' VAL . 64.8 t90 -59.33 -51.39 70.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.13 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.7 mm -60.49 -46.32 95.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.955 0.407 . . . . 0.0 110.809 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.435 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -68.24 -21.65 64.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.804 -179.251 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.513 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -77.45 -36.85 52.58 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.255 -177.045 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 30' ' ' TRP . 6.3 m -105.51 -46.98 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.897 -177.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.3 -36.11 4.6 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.426 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.444 ' OD2' ' HA ' ' A' ' 70' ' ' TRP . 10.1 p-10 -126.23 156.96 39.45 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 122.396 0.278 . . . . 0.0 110.289 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.575 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . 149.39 -178.61 26.8 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.913 176.27 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.473 HG13 ' HA ' ' A' ' 97' ' ' VAL . 12.1 m -138.19 133.96 44.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.922 0.392 . . . . 0.0 111.368 -179.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.466 HD12 ' CE1' ' A' ' 98' ' ' PHE . 1.9 mp -106.6 117.01 51.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 174.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.506 ' HB3' HG21 ' A' ' 74' ' ' VAL . 1.8 tt -93.48 123.91 37.11 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 93' ' ' PRO . 9.2 mp -91.03 123.67 34.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.707 -0.224 . . . . 0.0 110.467 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.9 t 66.25 -179.27 0.2 Allowed 'General case' 0 CA--C 1.532 0.28 0 O-C-N 123.917 0.761 . . . . 0.0 110.646 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.6 m -100.5 -56.4 2.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.014 0.435 . . . . 0.0 109.906 176.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -159.85 159.35 27.44 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.146 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -80.5 125.08 5.49 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 122.098 1.865 . . . . 0.0 110.319 170.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.459 ' HA ' ' NE ' ' A' ' 46' ' ' ARG . 2.1 mmp_? -55.17 -87.94 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 O-C-N 123.4 0.437 . . . . 0.0 111.401 -175.178 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 47' ' ' ARG . 30.0 ttp85 62.88 -5.38 0.2 Allowed 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 174.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.4 ' H ' ' C ' ' A' ' 46' ' ' ARG . 18.0 m 71.94 85.06 0.12 Allowed Pre-proline 0 CA--C 1.536 0.422 0 C-N-CA 123.063 0.545 . . . . 0.0 109.888 -168.363 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -75.21 171.37 18.41 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.368 2.712 . . . . 0.0 111.967 -177.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -165.28 -74.25 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.4 m -83.55 61.63 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -169.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.1 m 58.38 34.03 23.65 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.106 174.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -85.09 27.97 0.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.583 0.706 . . . . 0.0 110.697 178.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.404 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 3.5 t-20 -96.33 135.95 22.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.418 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.456 ' HA ' ' SD ' ' A' ' 57' ' ' MET . 14.4 Cg_exo -70.55 99.54 0.84 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.81 2.34 . . . . 0.0 113.005 179.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.9 t -117.37 -3.51 10.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.616 0.722 . . . . 0.0 109.866 178.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.456 ' SD ' ' HA ' ' A' ' 55' ' ' PRO . 1.6 mpt? -58.39 -37.37 75.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.382 -0.827 . . . . 0.0 111.865 -173.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.3 mp -63.71 -31.99 55.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.419 -171.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.35 -52.52 63.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.338 . . . . 0.0 111.237 -177.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -75.48 -29.64 59.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.987 0.422 . . . . 0.0 110.09 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 28.1 tp -52.56 -44.11 65.64 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.37 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 64.6 tp -50.04 -40.04 43.76 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.684 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -86.94 -28.47 22.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.493 -177.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -76.87 -38.04 54.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.007 -178.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.02 110.21 2.79 Favored Pre-proline 0 CA--C 1.529 0.147 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.982 -175.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -86.3 0.26 8.13 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.724 2.283 . . . . 0.0 112.721 -175.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -78.87 -48.5 14.55 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.799 -177.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.457 ' HE1' ' CE3' ' A' ' 70' ' ' TRP . 0.1 OUTLIER -172.52 162.58 5.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.347 -179.444 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -92.45 83.89 5.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.534 174.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.575 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . 0.1 OUTLIER -76.53 159.19 30.57 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.294 0.568 . . . . 0.0 112.108 -177.186 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -77.96 113.49 15.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.261 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 63.8 t -90.62 122.43 41.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.603 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -138.59 157.97 45.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.723 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.73 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 4.1 p -145.14 145.48 20.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -177.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.68 147.13 24.67 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.712 178.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -53.78 -74.62 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.299 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.2 tp -168.73 -62.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.614 176.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -61.36 -33.48 73.71 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.022 0.439 . . . . 0.0 110.205 175.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.489 ' O ' HG13 ' A' ' 83' ' ' ILE . 91.6 mt-30 -59.69 -37.12 77.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.648 178.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.9 m -61.89 -31.25 71.52 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.337 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.747 ' HG3' ' HD3' ' A' ' 91' ' ' ARG . 38.5 tt0 -63.9 -41.52 97.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.163 -179.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.23 -36.85 66.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.756 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 79' ' ' GLN . 68.7 mt -63.23 -42.58 96.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.15 -36.53 92.51 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.513 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -72.15 -31.79 66.3 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.182 0.515 . . . . 0.0 110.691 -178.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.416 ' NH2' ' HB2' ' A' ' 28' ' ' ASP . 9.6 tpt85 -49.19 -40.96 35.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.975 -1.012 . . . . 0.0 111.524 -177.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.404 ' HD1' HG21 ' A' ' 89' ' ' VAL . 2.9 p90 -124.29 17.41 9.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.626 -179.059 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 47.2 t30 60.41 76.75 0.35 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.498 176.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.404 HG21 ' HD1' ' A' ' 87' ' ' PHE . 86.2 t -143.04 143.31 25.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 172.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -67.24 157.34 34.07 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.739 0.304 . . . . 0.0 110.462 178.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.747 ' HD3' ' HG3' ' A' ' 81' ' ' GLU . 18.4 mtm180 -75.19 90.76 2.57 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.171 0.51 . . . . 0.0 111.451 -172.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -122.71 146.02 46.81 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.098 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.403 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 55.3 Cg_endo -72.17 106.8 2.11 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.308 2.006 . . . . 0.0 111.721 176.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.437 ' HA ' ' HA ' ' A' ' 108' ' ' SER . . . -155.19 156.14 35.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.492 -178.086 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.428 HG23 ' HB ' ' A' ' 38' ' ' VAL . 8.2 m -101.88 125.71 48.62 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.887 177.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.528 ' HB2' ' HE1' ' A' ' 98' ' ' PHE . 39.7 mt -91.74 131.16 37.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.456 -179.287 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.473 ' HA ' HG13 ' A' ' 38' ' ' VAL . 95.0 t -93.85 117.91 38.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.66 179.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.528 ' HE1' ' HB2' ' A' ' 96' ' ' LEU . 87.0 m-85 -115.51 122.84 46.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.794 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.1 p -137.38 155.63 49.15 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 172.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 67.31 10.8 8.0 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.969 0.414 . . . . 0.0 110.959 177.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 76.94 15.01 82.03 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.909 -0.662 . . . . 0.0 111.757 -173.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -128.65 164.08 23.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.954 0.407 . . . . 0.0 110.808 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.426 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 61.0 tp -90.75 125.4 35.68 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.288 -179.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.413 ' HB3' HG22 ' A' ' 123' ' ' ILE . 33.0 mmt180 -92.02 -40.47 11.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.01 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 169.44 -173.01 43.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.211 -0.995 . . . . 0.0 112.644 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.526 ' HB1' HD23 ' A' ' 96' ' ' LEU . . . -128.91 138.58 52.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.881 0.372 . . . . 0.0 111.475 -178.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -122.89 124.63 43.68 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 174.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.437 ' HA ' ' HA ' ' A' ' 94' ' ' ALA . 10.6 p -77.39 -78.91 0.12 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.791 0.329 . . . . 0.0 111.755 -177.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -154.97 73.07 0.25 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.88 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 9.4 tp -67.92 140.26 19.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.042 0.449 . . . . 0.0 110.765 -177.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.597 ' HB2' ' HD3' ' A' ' 112' ' ' PRO . 33.3 m80 -110.44 -51.15 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.448 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.597 ' HD3' ' HB2' ' A' ' 111' ' ' HIS . 34.0 Cg_exo -61.91 152.96 71.67 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 122.067 1.845 . . . . 0.0 112.115 175.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -122.47 -169.39 1.89 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 70.91 -54.11 0.66 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.24 0.616 . . . . 0.0 111.494 -177.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.41 -24.51 67.44 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.065 0.46 . . . . 0.0 110.74 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.0 mt -56.28 -31.76 63.93 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.509 177.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.31 -39.4 86.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.644 0.259 . . . . 0.0 110.837 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 32.3 m -68.46 -44.08 75.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.668 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 91.3 mt -68.94 -43.96 74.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.771 -179.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 47.4 ttp -61.5 -33.93 74.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.808 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.441 ' O ' ' HB2' ' A' ' 125' ' ' ASP . 7.4 tpt180 -59.68 -43.82 93.86 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -177.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 40.6 m -68.42 -29.86 68.62 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-O 120.997 0.427 . . . . 0.0 111.207 178.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.413 HG22 ' HB3' ' A' ' 104' ' ' ARG . 75.2 mt -74.49 -49.82 29.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.999 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 4.4 m -132.8 74.14 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.568 0.699 . . . . 0.0 110.893 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.441 ' HB2' ' O ' ' A' ' 121' ' ' ARG . 30.2 t70 -81.31 -39.21 25.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.636 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.522 ' HB ' ' HD2' ' A' ' 127' ' ' PRO . 43.4 p 55.77 -179.55 0.03 OUTLIER Pre-proline 0 N--CA 1.471 0.601 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.984 -179.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.522 ' HD2' ' HB ' ' A' ' 126' ' ' THR . 23.5 Cg_exo -66.07 77.62 0.31 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 121.767 1.645 . . . . 0.0 111.375 170.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 67.72 103.91 0.05 OUTLIER 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.942 0.776 . . . . 0.0 111.349 -179.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.06 155.71 39.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.549 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -85.5 22.92 1.45 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.941 -174.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -140.65 148.11 40.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.761 0.315 . . . . 0.0 110.599 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 21.5 m -119.97 128.04 53.21 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.029 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 7.6 m -75.81 102.25 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.347 0.594 . . . . 0.0 111.014 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.534 -177.719 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.877 0.37 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.03 -31.8 30.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.763 -174.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 69.6 165.6 0.27 Allowed 'General case' 0 N--CA 1.47 0.534 0 O-C-N 123.864 0.727 . . . . 0.0 109.624 -174.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -90.12 110.02 21.05 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 178.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.436 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 4.0 t -136.01 142.81 41.66 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.486 -174.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 9.5 Cg_exo -72.47 178.14 6.56 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 123.031 2.487 . . . . 0.0 111.186 173.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -88.22 176.22 7.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.07 0.462 . . . . 0.0 111.165 -177.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.635 ' HB2' ' HB2' ' A' ' 11' ' ' TRP . 45.6 m -72.47 162.86 28.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.198 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.81 -47.07 64.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.688 -178.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.729 ' HG ' ' HB2' ' A' ' 54' ' ' ASN . 4.4 mm? -67.98 -28.39 67.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.231 178.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.635 ' HB2' ' HB2' ' A' ' 8' ' ' SER . 0.6 OUTLIER -57.57 -44.56 85.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.527 175.571 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -70.02 -35.28 74.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.452 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -63.29 -36.56 84.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.731 177.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 95.1 mt -60.32 -42.95 96.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.596 178.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.7 mt -60.07 -34.51 73.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.185 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.5 m -66.15 -25.86 67.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.919 178.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -108.41 22.29 16.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.484 0.659 . . . . 0.0 110.122 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.59 -126.96 8.68 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.165 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.3 m95 67.47 129.61 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.594 0.712 . . . . 0.0 111.887 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -111.54 113.63 53.24 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.445 178.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.597 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 24.8 Cg_exo -64.64 104.86 0.58 Allowed 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 122.268 1.979 . . . . 0.0 110.777 171.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.499 HG23 HG13 ' A' ' 39' ' ' ILE . 2.6 m -82.01 170.52 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -178.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.598 ' HG2' HE22 ' A' ' 79' ' ' GLN . 38.1 mt-10 -138.0 159.62 41.54 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.821 -174.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.52 -6.97 59.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.277 0.56 . . . . 0.0 109.958 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 m -77.76 -43.22 31.46 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.365 -177.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.3 p -116.84 8.36 13.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.843 -174.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.47 ' O ' HG12 ' A' ' 31' ' ' ILE . 7.4 p -54.38 -42.92 60.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.608 -177.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.94 -47.61 85.08 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.764 -178.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -75.11 -38.38 61.17 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 -177.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.559 ' O ' HG23 ' A' ' 34' ' ' VAL . 72.0 t90 -59.1 -49.45 77.81 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -178.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.47 HG12 ' O ' ' A' ' 27' ' ' VAL . 43.6 mm -56.81 -45.69 83.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 121.044 0.45 . . . . 0.0 110.815 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.421 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -68.16 -32.7 73.15 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.085 -179.62 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -44.43 37.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.019 -176.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 30' ' ' TRP . 34.6 m -84.71 -37.02 12.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.328 -177.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.7 -48.41 2.3 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.28 177.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -125.62 167.37 15.18 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.635 0.255 . . . . 0.0 110.499 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.85 177.03 15.75 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.318 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.5 m -135.81 127.4 44.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.954 0.407 . . . . 0.0 111.274 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.499 HG13 HG23 ' A' ' 22' ' ' VAL . 2.1 mp -96.1 111.76 26.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 172.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.544 HD13 HG21 ' A' ' 74' ' ' VAL . 2.8 tm? -89.59 109.69 20.62 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 177.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.3 mp -75.46 148.42 39.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.701 176.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.423 ' OG ' ' HA ' ' A' ' 77' ' ' LEU . 4.0 m -54.19 103.05 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.303 0.377 . . . . 0.0 110.081 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.555 ' HA ' ' HB2' ' A' ' 93' ' ' PRO . 11.3 m -73.58 -0.81 16.37 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -168.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.0 t70 65.47 101.04 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.488 0 O-C-N 123.632 0.582 . . . . 0.0 111.467 177.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -76.16 80.99 2.54 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 122.435 2.09 . . . . 0.0 111.273 176.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -81.96 42.4 0.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.542 -177.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 64.58 18.62 11.48 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.533 0.683 . . . . 0.0 110.902 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.1 m -61.86 135.12 94.36 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.795 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -59.96 -20.97 62.76 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 123.373 2.715 . . . . 0.0 113.154 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -127.39 163.6 23.68 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.0 t 63.65 27.37 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 122.484 1.135 . . . . 0.0 108.553 -171.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.2 m -82.58 100.84 10.38 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 114.712 -1.131 . . . . 0.0 110.688 -178.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.453 ' CG ' ' HB3' ' A' ' 8' ' ' SER . 0.6 OUTLIER 75.07 -49.69 0.65 Allowed 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.957 0.785 . . . . 0.0 110.831 176.217 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.729 ' HB2' ' HG ' ' A' ' 10' ' ' LEU . 42.1 t30 -88.9 133.49 35.5 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 175.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.759 ' HB3' HD12 ' A' ' 58' ' ' ILE . 68.7 Cg_exo -42.94 -47.45 8.25 Favored 'Trans proline' 0 CA--C 1.534 0.486 0 C-N-CA 123.385 2.723 . . . . 0.0 113.558 175.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 54' ' ' ASN . 70.6 t 72.84 -34.62 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 175.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.525 ' O ' ' HB2' ' A' ' 61' ' ' LEU . 24.7 mmt -106.08 -27.58 11.03 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -176.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.759 HD12 ' HB3' ' A' ' 55' ' ' PRO . 3.2 mp -80.88 -61.77 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -168.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.75 -34.2 71.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.556 0.693 . . . . 0.0 110.427 -176.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -66.64 -30.86 71.23 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.369 179.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.525 ' HB2' ' O ' ' A' ' 57' ' ' MET . 36.6 tp -61.75 -53.07 60.93 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 121.452 0.644 . . . . 0.0 109.845 174.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.06 -37.27 76.63 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.844 -1.071 . . . . 0.0 111.086 -178.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -52.84 -31.38 38.84 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.632 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 10.0 pt-20 -123.25 26.89 7.78 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.896 -179.414 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.71 101.68 7.42 Favored Pre-proline 0 C--N 1.331 -0.197 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.313 172.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.632 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 9.8 Cg_endo -90.14 11.28 2.8 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.408 2.739 . . . . 0.0 110.932 177.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.422 HE22 ' HB ' ' A' ' 126' ' ' THR . 0.0 OUTLIER -75.85 -53.58 8.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.184 -179.346 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -173.45 177.78 2.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.195 -178.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -113.92 141.05 47.86 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 176.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.422 ' N ' ' CD1' ' A' ' 70' ' ' TRP . 0.1 OUTLIER -151.42 165.74 33.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.998 0.428 . . . . 0.0 111.771 -173.351 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -73.49 114.54 11.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.329 -174.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.9 t -89.21 116.52 30.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.999 175.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.455 ' HB2' HG13 ' A' ' 22' ' ' VAL . . . -127.58 159.39 34.78 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.174 -176.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.597 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 12.7 p -144.78 149.6 16.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.181 -178.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.71 157.14 16.91 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 176.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.25 -83.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.53 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.423 ' HA ' ' OG ' ' A' ' 42' ' ' SER . 55.6 tp -160.76 -49.24 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.182 0.515 . . . . 0.0 109.691 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -65.67 -47.37 75.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.503 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.598 HE22 ' HG2' ' A' ' 23' ' ' GLU . 36.2 mt-30 -69.19 -22.48 63.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.37 -173.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.3 t -50.07 -40.82 46.51 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.813 0.339 . . . . 0.0 110.855 176.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -69.9 -43.47 71.68 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.6 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.04 -42.39 84.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.604 -177.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.49 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 74.9 mt -66.04 -40.51 87.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 110.269 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.0 -44.09 97.9 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.475 -0.869 . . . . 0.0 111.772 177.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -68.31 -30.39 69.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 0.0 110.876 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.49 ' HB3' ' O ' ' A' ' 83' ' ' ILE . 2.8 tpm_? -45.98 -40.29 10.21 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.859 175.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.4 ' HB2' ' H ' ' A' ' 88' ' ' ASN . 4.7 m-85 -96.7 -78.69 0.46 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 175.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.4 ' H ' ' HB2' ' A' ' 87' ' ' PHE . 4.2 p-10 177.06 21.49 0.0 OUTLIER 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.154 176.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 33.9 t -103.1 96.17 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -175.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -127.85 32.94 4.87 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.428 -174.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -113.05 -79.33 0.58 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.681 178.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.47 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 97.5 m-85 -124.22 138.18 30.39 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.101 -179.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.555 ' HB2' ' HA ' ' A' ' 43' ' ' SER . 7.8 Cg_exo -74.79 153.12 42.67 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 123.232 2.621 . . . . 0.0 112.406 -178.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -158.04 -172.19 3.81 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.063 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.543 ' HG1' HD21 ' A' ' 40' ' ' LEU . 7.2 m -97.6 117.17 31.28 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 93.3 mt -92.17 128.92 38.2 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.926 0.393 . . . . 0.0 110.842 -176.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 67.2 t -94.18 114.66 31.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.813 -176.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.409 ' CE1' HD13 ' A' ' 39' ' ' ILE . 95.5 m-85 -112.44 126.62 55.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.32 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.5 ' OG1' ' HG3' ' A' ' 104' ' ' ARG . 0.7 OUTLIER -146.18 142.93 28.92 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.676 176.486 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 66.89 12.75 9.11 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.622 0.576 . . . . 0.0 110.966 -178.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.89 5.73 83.32 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.531 -177.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -121.09 152.37 38.75 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 122.472 -0.428 . . . . 0.0 111.075 178.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 56.0 tp -77.92 113.15 15.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.416 175.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.5 ' HG3' ' OG1' ' A' ' 99' ' ' THR . 16.8 mmt85 -96.98 -16.24 20.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.976 -173.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 163.77 -172.41 39.65 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 119.875 -1.155 . . . . 0.0 112.886 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -127.55 142.26 51.42 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.52 ' HB3' ' HB ' ' A' ' 95' ' ' THR . 1.8 tm? -89.64 96.43 10.69 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.725 -177.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 65.6 m -81.34 86.95 6.18 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 174.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -78.9 99.18 1.64 Allowed Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.811 -176.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.478 ' O ' ' HB2' ' A' ' 111' ' ' HIS . 46.8 mm -70.27 -74.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 175.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.546 ' HB3' ' HD3' ' A' ' 112' ' ' PRO . 1.6 t60 173.93 -53.01 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.339 0 O-C-N 123.665 0.603 . . . . 0.0 110.422 173.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.546 ' HD3' ' HB3' ' A' ' 111' ' ' HIS . 26.8 Cg_exo -64.15 146.67 90.92 Favored 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 122.19 1.927 . . . . 0.0 111.968 176.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.476 ' CH2' HD12 ' A' ' 61' ' ' LEU . 3.6 t-105 -95.64 -140.16 0.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.011 -177.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 69.37 -70.87 0.13 Allowed 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.52 0.728 . . . . 0.0 111.909 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -65.96 -26.38 67.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 -177.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 7.3 mt -56.37 -37.16 69.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.983 175.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -64.8 -44.83 88.66 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.3 m -62.46 -51.22 68.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.43 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.07 -49.88 70.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.711 -178.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.845 ' HA ' ' HE2' ' A' ' 120' ' ' MET . 20.8 mmt -64.82 -29.42 70.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.328 -178.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -55.43 -34.47 64.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.98 0.419 . . . . 0.0 111.276 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.0 m -71.4 -30.31 65.96 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.436 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 49.6 mm -91.07 -49.05 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.634 -175.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.2 m -112.03 68.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.804 0.811 . . . . 0.0 110.781 -177.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -74.26 -51.21 16.02 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.589 175.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.422 ' HB ' HE22 ' A' ' 67' ' ' GLN . 59.5 m 54.9 94.79 0.05 OUTLIER Pre-proline 0 C--O 1.235 0.319 0 CA-C-N 115.04 -0.982 . . . . 0.0 112.106 178.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.435 ' C ' ' H ' ' A' ' 129' ' ' ALA . 33.4 Cg_exo -57.24 135.43 70.26 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.879 2.386 . . . . 0.0 111.949 179.063 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.5 18.84 0.14 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.96 -176.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.435 ' H ' ' C ' ' A' ' 127' ' ' PRO . . . -124.81 8.86 8.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.931 0.396 . . . . 0.0 110.623 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.533 ' OE1' ' HG2' ' A' ' 131' ' ' GLU . 5.4 tm0? -87.24 156.22 19.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.782 -179.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.533 ' HG2' ' OE1' ' A' ' 130' ' ' GLN . 16.5 mm-40 62.33 -173.16 0.15 Allowed 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.048 0.539 . . . . 0.0 111.528 -176.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 27.7 m -127.84 98.02 5.02 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.263 -176.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.474 HG11 ' N ' ' A' ' 134' ' ' GLN . 11.8 t 64.95 166.62 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.438 176.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.474 ' N ' HG11 ' A' ' 133' ' ' VAL . 52.9 tt0 . . . . . 0 N--CA 1.465 0.316 0 C-N-CA 123.268 0.627 . . . . 0.0 111.195 173.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.2 mtm . . . . . 0 N--CA 1.482 1.129 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.42 153.18 43.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.66 -0.245 . . . . 0.0 110.846 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -86.31 -62.7 1.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -67.0 107.39 2.24 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 173.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.8 m -121.12 89.74 46.62 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.075 -0.512 . . . . 0.0 112.116 -172.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -86.28 -24.0 1.74 Allowed 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.878 2.385 . . . . 0.0 110.964 170.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -128.83 138.27 51.96 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.4 t -81.23 92.5 6.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.23 0.538 . . . . 0.0 110.74 -176.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.55 -32.94 36.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.38 177.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.429 HD12 ' N ' ' A' ' 11' ' ' TRP . 4.1 pp -63.8 -28.19 69.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.386 -179.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.429 ' N ' HD12 ' A' ' 10' ' ' LEU . 41.1 t-105 -64.51 -31.41 72.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.002 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -64.24 -35.77 81.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.371 177.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -67.66 -39.74 84.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.61 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.3 mt -66.38 -40.61 89.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.359 178.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -67.45 -26.61 66.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.606 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.2 m -63.95 -48.92 74.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.389 177.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -166.82 108.01 0.66 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.215 0.531 . . . . 0.0 110.691 176.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 156.8 -95.56 0.15 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.663 178.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.476 ' CE3' HG12 ' A' ' 74' ' ' VAL . 45.3 m0 -90.38 134.41 34.35 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.871 0.367 . . . . 0.0 111.854 -175.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -98.36 119.81 60.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.816 173.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.485 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 74.1 Cg_endo -76.32 108.69 2.72 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.412 2.075 . . . . 0.0 111.537 177.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.0 m -100.59 -176.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.4 0.619 . . . . 0.0 112.145 -175.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.615 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 44.9 mt-10 -143.42 174.12 11.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.872 -174.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.77 -28.67 19.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.931 0.396 . . . . 0.0 110.659 177.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 m -72.24 -2.78 20.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.364 -173.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.7 t -155.57 17.56 0.39 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.732 0.301 . . . . 0.0 111.348 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.615 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 7.1 p -68.35 -39.49 80.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.898 0.38 . . . . 0.0 111.025 -177.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -73.23 -27.76 61.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -77.92 -37.83 46.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.863 0.363 . . . . 0.0 110.072 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.402 ' O ' HG22 ' A' ' 34' ' ' VAL . 49.0 t90 -65.71 -49.48 68.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.449 179.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.413 HD12 HD13 ' A' ' 39' ' ' ILE . 27.3 mm -59.9 -37.25 71.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.978 0.418 . . . . 0.0 110.525 177.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.436 ' HB3' ' HE3' ' A' ' 32' ' ' LYS . 1.2 tmmt? -61.39 -34.03 74.66 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.896 177.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -81.05 -46.62 14.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.006 0.431 . . . . 0.0 111.578 -178.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.462 ' HB ' ' NE2' ' A' ' 71' ' ' GLN . 35.3 m -81.43 -33.31 12.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.25 -175.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.19 -53.57 4.64 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 111.932 -0.467 . . . . 0.0 111.932 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -122.73 127.57 49.38 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.715 0.293 . . . . 0.0 110.64 -176.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.8 176.82 44.34 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.118 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.488 HG11 ' HA ' ' A' ' 97' ' ' VAL . 15.8 m -134.32 142.33 41.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.714 0.257 . . . . 0.0 111.084 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.465 HG22 HD12 ' A' ' 41' ' ' LEU . 2.4 mp -111.83 119.85 60.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 175.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.542 HD12 ' HB2' ' A' ' 55' ' ' PRO . 4.5 tt -95.2 119.92 34.53 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 177.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.465 HD12 HG22 ' A' ' 39' ' ' ILE . 8.2 mp -93.43 139.54 30.58 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.518 0.192 . . . . 0.0 111.518 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.9 m 80.03 142.99 0.08 Allowed 'General case' 0 N--CA 1.469 0.495 0 O-C-N 124.089 0.868 . . . . 0.0 112.15 173.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.1 m -142.36 107.94 5.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.554 178.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.9 t70 58.27 89.78 0.1 Allowed Pre-proline 0 N--CA 1.471 0.618 0 C-N-CA 123.365 0.666 . . . . 0.0 111.966 178.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -89.96 159.89 4.95 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 122.673 2.248 . . . . 0.0 112.717 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -85.01 -53.9 4.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.909 175.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -93.6 132.08 38.26 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.131 -173.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.5 m -141.44 125.47 10.19 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.661 175.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.52 56.24 2.74 Favored 'Trans proline' 0 CA--C 1.533 0.44 0 C-N-CA 122.947 2.431 . . . . 0.0 112.736 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.63 ' HG2' HG23 ' A' ' 51' ' ' VAL . 44.8 tt0 70.44 149.26 0.08 Allowed 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.424 0.69 . . . . 0.0 111.086 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.63 HG23 ' HG2' ' A' ' 50' ' ' GLU . 54.1 t 66.18 88.01 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.468 0.651 . . . . 0.0 109.988 -178.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.8 p -109.47 156.82 19.62 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.817 -177.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -156.21 -164.88 1.78 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 178.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.532 HD21 ' N ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -149.39 139.3 13.22 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 121.283 0.563 . . . . 0.0 111.119 -178.189 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.542 ' HB2' HD12 ' A' ' 40' ' ' LEU . 97.3 Cg_endo -77.37 44.74 1.57 Allowed 'Trans proline' 0 CA--C 1.532 0.406 0 C-N-CA 123.476 2.784 . . . . 0.0 114.117 -170.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.4 t -76.1 -13.86 14.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.198 0.523 . . . . 0.0 110.022 176.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.6 mmt -55.79 -34.16 65.05 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.563 -178.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.9 mp -64.87 -35.16 74.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.73 0.3 . . . . 0.0 111.112 -177.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.69 98.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.007 0.432 . . . . 0.0 111.054 -178.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -75.49 -41.44 55.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.358 0.599 . . . . 0.0 109.963 178.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.576 HD13 HD23 ' A' ' 116' ' ' LEU . 1.3 tt -63.51 -46.96 83.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.368 -175.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.567 ' HG ' ' HB ' ' A' ' 72' ' ' VAL . 0.3 OUTLIER -63.45 -33.88 76.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.033 -172.277 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 63' ' ' ARG . 23.7 mtp180 -79.08 -8.08 58.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.557 -177.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -97.98 -87.53 0.33 Allowed 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.038 178.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 24.72 87.57 0.08 OUTLIER Pre-proline 0 N--CA 1.467 0.422 0 O-C-N 124.781 1.301 . . . . 0.0 113.425 -174.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.21 -11.97 33.62 Favored 'Trans proline' 0 CA--C 1.529 0.244 0 C-N-CA 122.631 2.221 . . . . 0.0 112.441 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -73.57 -59.04 2.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.995 -178.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -161.7 -178.5 6.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.432 -176.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -112.55 140.06 47.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.557 179.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -152.76 171.59 18.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.911 -177.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.462 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 2.0 mp0 -86.05 146.51 26.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.972 0.415 . . . . 0.0 111.328 -177.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.567 ' HB ' ' HG ' ' A' ' 62' ' ' LEU . 5.4 p -114.04 129.58 69.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.31 178.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -133.08 141.67 48.32 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.141 0.496 . . . . 0.0 111.217 -177.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.485 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 16.5 m -131.67 158.52 43.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.265 179.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -140.44 144.37 36.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.028 0.442 . . . . 0.0 111.463 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -67.49 163.31 21.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.002 179.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.2 tt -60.25 -36.83 78.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.25 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.26 -38.58 89.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.271 0.557 . . . . 0.0 110.417 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.422 ' O ' HG13 ' A' ' 83' ' ' ILE . 15.0 mm100 -76.29 -31.08 58.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.111 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.1 t -52.54 -46.03 66.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.174 -174.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -57.78 -46.7 84.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 -177.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.14 -36.16 77.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.164 -178.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 79' ' ' GLN . 65.7 mt -65.66 -39.68 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.007 0.432 . . . . 0.0 110.439 179.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.42 ' HA2' ' HB ' ' A' ' 89' ' ' VAL . . . -61.69 -28.01 69.21 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.233 176.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -77.86 -37.02 49.22 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.203 0.525 . . . . 0.0 110.244 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -52.12 -48.4 64.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.723 -1.126 . . . . 0.0 112.217 -173.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -131.96 21.46 4.54 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.776 -177.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 58.8 t30 71.56 80.72 0.15 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.937 170.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.42 ' HB ' ' HA2' ' A' ' 84' ' ' GLY . 65.8 t -112.11 102.43 13.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.914 174.119 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.71 -179.82 3.86 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 175.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.499 ' O ' ' HB2' ' A' ' 92' ' ' PHE . 10.3 tpt180 64.99 31.08 11.51 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 123.506 0.504 . . . . 0.0 110.587 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.499 ' HB2' ' O ' ' A' ' 91' ' ' ARG . 79.4 m-85 77.73 149.6 0.12 Allowed Pre-proline 0 N--CA 1.47 0.557 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.704 179.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -70.26 165.93 29.9 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.194 2.596 . . . . 0.0 113.408 -176.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -163.3 -161.6 0.68 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.454 -177.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.9 m -109.87 115.61 30.13 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 176.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.508 ' HA ' ' HA ' ' A' ' 106' ' ' ALA . 6.3 mp -94.07 143.18 26.59 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.989 0.423 . . . . 0.0 111.196 -175.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.488 ' HA ' HG11 ' A' ' 38' ' ' VAL . 58.6 t -101.64 115.4 43.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.75 -175.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.48 ' CZ ' HD12 ' A' ' 103' ' ' LEU . 49.7 m-85 -113.31 112.53 23.85 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.965 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 70.0 p -133.12 153.6 51.37 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 67.43 16.95 10.08 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 123.29 0.369 . . . . 0.0 110.644 178.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 76.68 7.56 85.89 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.963 -176.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -125.86 156.68 39.23 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 121.021 0.439 . . . . 0.0 111.032 -177.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.48 HD12 ' CZ ' ' A' ' 98' ' ' PHE . 51.3 tp -80.31 110.97 16.25 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -88.13 -29.6 20.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.059 -177.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 166.24 -158.4 31.31 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.189 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.508 ' HA ' ' HA ' ' A' ' 96' ' ' LEU . . . -138.48 158.44 44.27 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.09 91.21 4.23 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -179.012 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.3 m -120.89 93.45 4.03 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.936 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.651 ' HA3' ' HG3' ' A' ' 115' ' ' GLU . . . -132.09 162.46 23.92 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.013 -178.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 17.7 tt -117.92 -11.02 11.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.307 0.575 . . . . 0.0 110.764 -177.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.489 ' O ' ' HG2' ' A' ' 115' ' ' GLU . 72.8 m-70 -99.99 131.3 24.58 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.46 177.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.27 107.38 0.36 Allowed 'Trans proline' 0 CA--C 1.529 0.241 0 C-N-CA 122.783 2.322 . . . . 0.0 112.585 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 74.0 -38.78 0.41 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.896 0.878 . . . . 0.0 112.529 175.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.58 -30.95 44.72 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -175.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.651 ' HG3' ' HA3' ' A' ' 109' ' ' GLY . 4.4 mm-40 -62.77 -30.64 71.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 110.985 -178.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.576 HD23 HD13 ' A' ' 61' ' ' LEU . 64.5 mt -63.62 -32.76 74.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.272 -178.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.449 ' O ' ' HB2' ' A' ' 121' ' ' ARG . 0.2 OUTLIER -59.84 -38.36 81.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.72 -177.275 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.6 m -88.35 -51.14 5.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.443 178.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.416 ' O ' HG13 ' A' ' 123' ' ' ILE . 93.9 mt -64.78 -50.09 68.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.911 -173.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 55.6 ttp -65.83 -33.8 76.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.923 0.392 . . . . 0.0 110.3 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 73.7 ttt180 -58.65 -41.34 85.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.301 178.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 24.8 t -75.48 -42.96 51.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.023 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 119' ' ' LEU . 84.9 mt -62.07 -49.35 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.302 -177.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 11.8 m -121.31 70.67 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.931 0.872 . . . . 0.0 110.591 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -73.04 -54.96 7.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.61 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.3 t -150.39 143.97 17.0 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.646 -176.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -66.87 -18.0 52.24 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.876 2.384 . . . . 0.0 112.285 177.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -103.99 27.86 7.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.577 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.43 157.71 37.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.653 -178.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -78.31 125.24 29.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.945 175.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -62.23 144.63 55.28 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 4.1 m -129.17 163.22 26.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.199 -175.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.435 HG11 ' O ' ' A' ' 133' ' ' VAL . 14.0 t 70.02 27.99 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-O 122.139 0.971 . . . . 0.0 109.724 -179.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 19.1 pm0 . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.783 176.493 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ttt . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -133.89 93.82 3.17 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 177.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -97.07 122.27 39.88 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.392 -174.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -123.91 127.0 47.35 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.392 -178.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.8 m -153.4 80.36 5.25 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.053 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -95.4 102.86 0.11 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 123.156 2.571 . . . . 0.0 112.451 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -84.95 -69.19 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.8 m -82.09 -29.18 31.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.185 0.517 . . . . 0.0 109.975 178.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.56 -28.6 69.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.125 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.511 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 47.3 tp -60.46 -43.38 96.94 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.423 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.545 ' CZ3' ' HG3' ' A' ' 21' ' ' PRO . 0.7 OUTLIER -58.55 -41.84 86.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.215 177.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -64.81 -38.23 90.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.816 0.341 . . . . 0.0 110.329 -178.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -73.12 -28.17 62.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.23 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 58.1 mt -68.82 -53.47 21.32 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.532 177.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.408 HD11 ' O ' ' A' ' 11' ' ' TRP . 10.7 mp -53.58 -24.69 14.54 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -177.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.9 m -53.37 -39.55 64.3 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 178.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -157.13 -34.5 0.08 Allowed 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 -174.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 19' ' ' TRP . . . -136.29 149.14 20.01 Favored Glycine 0 C--O 1.225 -0.442 0 C-N-CA 119.912 -1.137 . . . . 0.0 113.365 -172.228 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.428 ' HB2' ' O ' ' A' ' 18' ' ' GLY . 60.8 m95 74.18 109.81 0.07 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.819 0.819 . . . . 0.0 110.86 -176.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.565 ' NE2' ' HD2' ' A' ' 21' ' ' PRO . 32.4 tp60 -114.09 117.06 44.18 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.898 -176.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.667 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 37.0 Cg_exo -55.25 121.71 10.4 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.268 1.978 . . . . 0.0 111.519 175.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.588 HG23 HG22 ' A' ' 39' ' ' ILE . 1.2 m -84.93 175.52 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.237 0.542 . . . . 0.0 111.37 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.578 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 40.7 mt-10 -136.66 176.14 8.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.675 -174.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.72 -29.94 15.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.117 0.484 . . . . 0.0 110.85 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 m -83.23 -44.51 14.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.197 -177.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' A' ' 23' ' ' GLU . 20.8 p -91.71 -4.25 55.31 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -172.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.578 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 10.8 p -60.4 -37.71 75.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 120.705 0.288 . . . . 0.0 111.217 -176.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -62.55 -45.88 90.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.227 0.537 . . . . 0.0 110.314 -178.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -74.57 -31.22 62.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.628 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 71.2 t90 -62.12 -48.46 80.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.807 175.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.474 ' HA ' HG23 ' A' ' 34' ' ' VAL . 79.8 mt -61.06 -38.42 79.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.146 176.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.423 ' HE2' ' HB3' ' A' ' 32' ' ' LYS . 2.6 tmmm? -55.66 -43.35 76.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.085 175.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -77.39 -45.75 24.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.842 -174.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.474 HG23 ' HA ' ' A' ' 31' ' ' ILE . 25.6 m -77.36 -43.9 30.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.815 -174.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.92 -48.53 2.37 Favored Glycine 0 C--O 1.234 0.126 0 N-CA-C 111.965 -0.454 . . . . 0.0 111.965 -177.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.438 ' HA ' ' O ' ' A' ' 98' ' ' PHE . 9.3 m-20 -127.0 110.05 12.55 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.058 -0.571 . . . . 0.0 109.463 -179.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.54 176.98 44.61 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.637 -177.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.51 HG13 ' HA ' ' A' ' 97' ' ' VAL . 15.7 m -133.97 133.34 56.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.025 0.44 . . . . 0.0 111.708 -178.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.588 HG22 HG23 ' A' ' 22' ' ' VAL . 2.7 mp -101.03 115.37 42.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 174.322 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 tt -92.83 120.11 32.85 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.5 mp -85.76 131.68 34.27 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.514 -178.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 61.0 p 58.25 114.97 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.625 1.17 . . . . 0.0 113.597 176.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.1 m -71.19 -43.83 66.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.867 175.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.481 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 54.1 t0 -135.5 117.62 12.29 Favored Pre-proline 0 C--N 1.329 -0.285 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 173.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.722 ' HG3' ' HG3' ' A' ' 93' ' ' PRO . 3.0 Cg_exo -75.55 -19.07 17.09 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 122.915 2.41 . . . . 0.0 113.199 -178.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -147.76 -75.64 0.18 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.624 0.25 . . . . 0.0 111.468 -175.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -177.05 108.02 0.07 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.393 -174.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.482 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 7.9 t -90.66 118.87 68.99 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-O 121.246 0.546 . . . . 0.0 110.683 173.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' ' 48' ' ' THR . 2.3 Cg_endo -85.81 114.71 1.43 Allowed 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 123.037 2.491 . . . . 0.0 111.926 177.186 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.438 ' O ' ' HB ' ' A' ' 51' ' ' VAL . 1.6 mp0 64.62 -160.18 0.29 Allowed 'General case' 0 C--O 1.234 0.276 0 O-C-N 123.577 0.548 . . . . 0.0 110.942 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.438 ' HB ' ' O ' ' A' ' 50' ' ' GLU . 85.7 t 78.06 134.11 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 O-C-N 123.712 0.633 . . . . 0.0 111.297 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.1 m -84.33 129.37 34.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.678 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.582 ' OD1' ' HD2' ' A' ' 55' ' ' PRO . 2.1 t70 73.16 166.14 0.3 Allowed 'General case' 0 N--CA 1.472 0.625 0 O-C-N 124.034 0.834 . . . . 0.0 110.651 177.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.558 ' HB2' ' HD3' ' A' ' 55' ' ' PRO . 13.8 m120 -129.7 -56.92 0.03 OUTLIER Pre-proline 0 CA--C 1.534 0.336 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -175.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.582 ' HD2' ' OD1' ' A' ' 53' ' ' ASP . 79.8 Cg_endo -78.85 44.63 1.71 Allowed 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 121.957 1.771 . . . . 0.0 113.276 -177.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.418 ' O ' ' HB3' ' A' ' 57' ' ' MET . 26.7 m -73.77 169.12 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.345 177.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.418 ' HB3' ' O ' ' A' ' 56' ' ' VAL . 38.9 ttp 75.76 -47.22 0.58 Allowed 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.156 0.582 . . . . 0.0 110.554 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.2 mp -68.68 -31.63 51.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 171.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.23 -48.48 79.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.168 178.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 2.1 mp0 -60.02 -42.13 93.66 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.675 177.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -54.34 -45.25 72.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.575 0.702 . . . . 0.0 109.784 176.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -70.33 -4.63 23.11 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.879 -1.055 . . . . 0.0 112.393 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.596 ' HA ' ' NE ' ' A' ' 63' ' ' ARG . 4.0 mmp_? -109.82 -47.43 3.35 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 13.1 pt-20 -95.56 24.3 5.35 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -173.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.454 ' CE1' ' HD2' ' A' ' 68' ' ' PHE . 2.0 t80 -90.65 107.59 21.39 Favored Pre-proline 0 C--N 1.329 -0.295 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 176.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -78.64 15.85 1.37 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.445 2.763 . . . . 0.0 113.372 -173.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -126.22 -46.03 1.66 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -176.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.554 ' HZ ' HG12 ' A' ' 124' ' ' VAL . 68.4 m-85 -113.84 111.65 22.08 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -169.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -88.6 58.05 4.48 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 163.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -89.78 -175.23 4.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.822 -1.081 . . . . 0.0 112.155 -171.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -112.49 120.58 42.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.83 -172.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.3 p -102.4 139.89 22.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.872 -177.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.454 ' HB3' HG13 ' A' ' 22' ' ' VAL . . . -143.37 151.95 41.03 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.49 177.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.667 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 4.3 p -135.85 143.09 37.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.956 0.407 . . . . 0.0 110.692 -177.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.531 ' HB1' ' HB2' ' A' ' 79' ' ' GLN . . . -96.19 149.5 21.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.558 177.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -68.07 -81.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.788 -177.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -155.04 -45.89 0.08 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 121.108 -0.237 . . . . 0.0 110.999 174.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.68 -43.79 97.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.607 0.718 . . . . 0.0 110.106 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.531 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . 17.9 mp0 -68.93 -30.35 68.79 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.496 -178.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.6 t -53.84 -55.31 27.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.986 -175.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -65.43 -37.41 86.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.762 0.315 . . . . 0.0 110.995 -175.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.29 -40.19 89.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.985 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.513 HG22 HG21 ' A' ' 39' ' ' ILE . 87.3 mt -70.7 -42.82 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.263 176.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -59.62 -40.41 96.38 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 111.715 177.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -56.95 -32.06 65.64 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 123.075 0.55 . . . . 0.0 111.743 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -34.0 56.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.923 -179.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.14 10.49 10.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.983 0.421 . . . . 0.0 110.612 177.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 64.6 t30 66.96 30.35 7.64 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.481 175.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.4 t -94.14 121.7 44.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.622 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.421 ' O ' ' HG3' ' A' ' 91' ' ' ARG . 20.0 ttm180 -147.47 94.28 2.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.722 179.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 90' ' ' ARG . 10.8 mtm180 172.09 111.77 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.192 0.997 . . . . 0.0 109.532 171.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 67.83 164.8 0.13 Allowed Pre-proline 0 N--CA 1.468 0.452 0 O-C-N 123.964 0.79 . . . . 0.0 111.497 177.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.722 ' HG3' ' HG3' ' A' ' 45' ' ' PRO . 16.9 Cg_exo -67.12 133.38 30.64 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.236 1.957 . . . . 0.0 111.072 173.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.941 ' HA ' ' HA ' ' A' ' 108' ' ' SER . . . -134.08 141.97 47.37 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.618 0.246 . . . . 0.0 110.933 -177.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.459 HG21 ' HB ' ' A' ' 38' ' ' VAL . 7.0 m -118.17 116.15 26.23 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 175.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.574 ' HA ' ' HA ' ' A' ' 106' ' ' ALA . 6.3 mp -92.54 139.91 30.09 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.066 0.46 . . . . 0.0 111.244 -176.048 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.51 ' HA ' HG13 ' A' ' 38' ' ' VAL . 45.3 t -97.07 106.15 18.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.914 -176.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.455 ' CE2' HD12 ' A' ' 103' ' ' LEU . 41.2 m-85 -101.72 110.84 22.9 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.169 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.8 p -138.0 149.57 46.21 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.616 -0.266 . . . . 0.0 110.364 -177.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.2 t70 70.8 11.16 7.14 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.506 0.67 . . . . 0.0 110.064 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.33 -2.37 85.01 Favored Glycine 0 N--CA 1.444 -0.83 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.53 -175.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.9 pttm -128.76 165.29 21.22 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 121.43 0.633 . . . . 0.0 112.375 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.455 HD12 ' CE2' ' A' ' 98' ' ' PHE . 56.2 tp -89.13 121.96 31.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.274 -178.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 54.8 mtt180 -105.4 -14.93 15.17 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 153.25 -163.75 30.72 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.039 -1.077 . . . . 0.0 112.766 177.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.574 ' HA ' ' HA ' ' A' ' 96' ' ' LEU . . . -132.48 153.88 50.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.754 0.312 . . . . 0.0 110.676 -178.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.06 -10.24 15.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.204 -178.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.941 ' HA ' ' HA ' ' A' ' 94' ' ' ALA . 24.2 m 60.75 -163.55 0.25 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.143 -172.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.499 ' O ' HG23 ' A' ' 110' ' ' ILE . . . -84.13 -21.07 57.93 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.511 173.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.749 HG12 ' H ' ' A' ' 111' ' ' HIS . 5.8 tt 55.06 -174.03 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 C-N-CA 124.225 1.01 . . . . 0.0 112.138 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.749 ' H ' HG12 ' A' ' 110' ' ' ILE . 15.2 t-160 -165.43 -51.34 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.41 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.712 ' HD3' ' HB3' ' A' ' 111' ' ' HIS . 5.1 Cg_exo -80.3 168.39 18.48 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 122.21 1.94 . . . . 0.0 111.4 174.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -137.26 83.15 1.97 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.19 0.519 . . . . 0.0 110.225 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -148.41 -41.91 0.16 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.207 175.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.52 ' H ' ' CD ' ' A' ' 115' ' ' GLU . 0.8 OUTLIER -76.56 -23.25 53.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.815 -177.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.3 mt -53.99 -32.56 54.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.56 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.1 -46.1 85.71 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.8 m -71.76 -40.77 69.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.736 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 93.3 mt -59.38 -44.2 92.81 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.25 178.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -58.14 -44.18 87.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.354 177.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.404 ' HD2' ' HA ' ' A' ' 121' ' ' ARG . 7.0 tpt180 -68.52 -29.66 68.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -178.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.8 t -75.66 -39.09 58.18 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.039 0.447 . . . . 0.0 110.536 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.412 HG22 HG13 ' A' ' 124' ' ' VAL . 79.9 mt -74.7 -48.67 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.027 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.554 HG12 ' HZ ' ' A' ' 68' ' ' PHE . 6.0 m -130.97 76.4 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.799 0.809 . . . . 0.0 111.428 -178.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -66.3 -40.07 89.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.568 174.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.6 p -76.32 130.58 77.02 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.992 174.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -61.44 99.17 0.16 Allowed 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.831 2.354 . . . . 0.0 112.112 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.54 112.54 24.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.247 179.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . 69.45 168.26 0.29 Allowed 'General case' 0 N--CA 1.465 0.291 0 O-C-N 124.205 0.94 . . . . 0.0 111.317 -177.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.68 98.75 5.1 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -179.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -108.74 120.87 43.76 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.228 0.537 . . . . 0.0 111.155 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 23.1 m -95.3 89.1 5.36 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.523 176.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 6.0 m -80.05 86.39 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.597 0.713 . . . . 0.0 111.507 -176.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.435 178.156 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.7 mtm . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 120.914 0.388 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.35 159.36 21.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.081 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -87.45 91.65 8.8 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.712 -176.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -60.46 124.36 20.12 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.164 0.507 . . . . 0.0 110.116 176.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.3 m -132.56 105.0 13.11 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.014 -171.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.404 ' HD2' ' HB1' ' A' ' 9' ' ' ALA . 6.3 Cg_exo -74.62 146.96 35.03 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.703 2.269 . . . . 0.0 110.654 170.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -60.54 -47.4 86.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.745 0.307 . . . . 0.0 111.376 -176.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.0 m -65.76 -37.65 86.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.049 -178.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' HB1' ' HD2' ' A' ' 6' ' ' PRO . . . -70.08 -41.33 74.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.906 0.384 . . . . 0.0 110.555 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.469 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 67.2 tp -59.07 -43.91 91.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.19 177.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.511 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 76.6 t-105 -56.29 -51.43 68.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.939 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -65.19 -33.95 77.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.969 0.414 . . . . 0.0 110.778 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -68.86 -36.79 78.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.051 178.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 95.6 mt -68.71 -31.34 70.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.452 176.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 11' ' ' TRP . 82.3 mt -66.18 -26.05 67.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.082 0.468 . . . . 0.0 110.369 175.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 m -73.49 -29.54 62.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.247 0.546 . . . . 0.0 109.84 175.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -71.35 -25.01 62.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.801 176.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.4 -135.1 6.84 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.206 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.494 ' CE3' HG11 ' A' ' 74' ' ' VAL . 45.6 m0 69.68 176.63 0.27 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.758 0.789 . . . . 0.0 112.641 173.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -145.33 114.06 4.83 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 114.847 -1.069 . . . . 0.0 109.462 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -71.27 106.84 2.0 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.091 1.861 . . . . 0.0 111.93 178.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.438 HG23 HG13 ' A' ' 39' ' ' ILE . 16.8 m -99.9 178.49 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.519 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 46.4 mt-10 -141.89 173.29 11.64 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.148 -173.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.473 ' HB1' HG13 ' A' ' 83' ' ' ILE . . . -97.81 -26.44 14.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.213 -177.179 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.9 m -71.2 -22.51 62.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.251 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.4 t -135.38 20.95 3.39 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.814 0.34 . . . . 0.0 110.95 -175.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.519 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 7.6 p -60.33 -47.5 92.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.194 -176.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.1 -41.69 90.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.592 -177.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -66.65 -36.91 83.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.682 0.277 . . . . 0.0 110.872 -178.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -65.11 -45.82 83.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.894 0.378 . . . . 0.0 110.307 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.427 HD13 ' CD2' ' A' ' 98' ' ' PHE . 70.5 mt -61.79 -32.3 53.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.203 178.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.429 ' HE2' ' HB3' ' A' ' 32' ' ' LYS . 2.9 tmmm? -63.29 -36.23 82.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.351 175.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.33 -45.28 22.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.106 -174.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.428 ' HB ' ' NE2' ' A' ' 71' ' ' GLN . 26.9 m -87.17 -40.96 14.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -175.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.62 -62.38 0.71 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.414 -0.422 . . . . 0.0 112.059 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.471 ' OD1' ' HA ' ' A' ' 99' ' ' THR . 15.5 m-20 -117.94 150.27 39.51 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -176.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.85 -172.76 39.8 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.388 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.41 ' O ' ' HB1' ' A' ' 73' ' ' ALA . 16.8 m -139.0 143.76 30.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.457 0.17 . . . . 0.0 110.627 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.438 HG13 HG23 ' A' ' 22' ' ' VAL . 2.1 mp -120.34 133.78 65.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 176.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.492 HD12 HG13 ' A' ' 58' ' ' ILE . 34.0 mt -83.6 140.61 32.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.743 176.109 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.6 mp -117.82 121.45 40.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.362 175.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.8 m 70.07 139.76 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.976 0.894 . . . . 0.0 113.176 174.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.0 p -113.19 29.45 7.98 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.59 175.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.495 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 12.9 m-20 -83.48 130.46 56.14 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.858 -177.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.495 ' HD3' ' HA ' ' A' ' 44' ' ' ASP . 3.8 Cg_exo -74.96 149.8 37.42 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 123.003 2.469 . . . . 0.0 113.085 -177.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -112.56 19.12 17.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.236 176.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 71.55 116.6 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 114.753 -1.112 . . . . 0.0 110.979 -176.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -157.43 119.97 2.12 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.493 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -90.89 -13.01 2.21 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 122.984 2.456 . . . . 0.0 112.739 175.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -171.17 -37.69 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -175.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.6 m -62.65 -15.53 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -174.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.503 ' O ' ' HB3' ' A' ' 53' ' ' ASP . 49.0 m -153.77 -153.93 0.49 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.086 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.503 ' HB3' ' O ' ' A' ' 52' ' ' SER . 16.6 t0 79.93 159.63 0.17 Allowed 'General case' 0 N--CA 1.47 0.549 0 O-C-N 124.076 0.86 . . . . 0.0 110.419 -179.133 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 65.25 90.6 0.09 OUTLIER Pre-proline 0 N--CA 1.466 0.36 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.178 -171.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.411 ' HB2' ' HH2' ' A' ' 19' ' ' TRP . 15.1 Cg_exo -68.09 95.17 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.75 2.3 . . . . 0.0 112.464 -177.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.4 m -133.75 -30.48 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.033 176.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -47.62 -34.99 8.6 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.455 -176.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.492 HG13 HD12 ' A' ' 40' ' ' LEU . 44.8 mm -60.75 -33.77 56.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-O 120.893 0.377 . . . . 0.0 110.901 -177.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.461 ' HB2' ' HE1' ' A' ' 19' ' ' TRP . . . -78.1 -44.98 24.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.95 0.405 . . . . 0.0 111.044 179.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.55 -29.01 68.99 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.479 -178.1 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -41.0 63.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.152 0.501 . . . . 0.0 109.793 174.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.5 tp -66.97 -34.09 77.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 86.2 mtt-85 -64.04 -35.26 80.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -106.26 22.86 15.05 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.032 -174.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -112.2 90.25 13.57 Favored Pre-proline 0 C--N 1.331 -0.234 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.355 175.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -87.42 10.06 3.66 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.78 2.32 . . . . 0.0 112.393 -178.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -72.57 -39.59 67.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.371 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -177.16 -172.97 0.42 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.665 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -117.33 127.25 53.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.905 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -135.37 173.27 11.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.864 175.136 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.428 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -94.24 123.72 37.8 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.008 0.433 . . . . 0.0 110.657 -178.75 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 p -80.68 113.61 20.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.244 176.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.41 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -123.94 151.94 43.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.986 0.422 . . . . 0.0 111.072 -176.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.494 HG11 ' CE3' ' A' ' 19' ' ' TRP . 32.4 m -141.63 158.66 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.833 -175.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -114.98 157.17 23.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.032 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -82.65 -79.44 0.19 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.783 0.325 . . . . 0.0 110.859 -174.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.449 HD23 ' H ' ' A' ' 78' ' ' GLU . 2.2 pt? -157.72 -40.33 0.07 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.735 0.303 . . . . 0.0 111.146 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.449 ' H ' HD23 ' A' ' 77' ' ' LEU . 32.7 tt0 -77.46 -32.23 54.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.11 0.481 . . . . 0.0 110.825 -176.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.421 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 24.9 mp0 -62.66 -29.28 70.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.044 -178.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.7 m -50.46 -49.82 54.16 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 122.736 0.415 . . . . 0.0 111.803 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -62.36 -49.42 75.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.198 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.31 -35.1 71.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.731 -173.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.473 HG13 ' HB1' ' A' ' 24' ' ' ALA . 75.5 mt -68.31 -47.61 77.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.99 0.424 . . . . 0.0 110.114 176.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -65.24 -29.27 74.88 Favored Glycine 0 C--O 1.223 -0.579 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.155 178.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -75.33 -32.53 60.93 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.242 0.544 . . . . 0.0 110.791 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -51.24 -43.57 61.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.886 -178.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.471 ' HD1' HG21 ' A' ' 89' ' ' VAL . 0.9 OUTLIER -132.9 16.54 4.23 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -177.577 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 42.6 t30 63.73 80.61 0.23 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.436 0.636 . . . . 0.0 112.148 174.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.471 HG21 ' HD1' ' A' ' 87' ' ' PHE . 97.9 t -134.38 146.79 30.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.549 175.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.629 ' HB3' ' HD2' ' A' ' 92' ' ' PHE . 21.4 mmt180 -58.56 139.92 55.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.909 0.385 . . . . 0.0 111.738 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 74.1 mtm180 -84.07 75.74 10.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.085 0.469 . . . . 0.0 110.396 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.629 ' HD2' ' HB3' ' A' ' 90' ' ' ARG . 76.6 m-85 -135.54 152.4 76.28 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.247 177.085 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -56.1 100.71 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.807 2.338 . . . . 0.0 112.333 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -149.7 177.18 10.01 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.34 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.803 ' HB ' HD21 ' A' ' 107' ' ' LEU . 7.4 m -134.52 130.87 37.28 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.502 HD21 ' HB1' ' A' ' 106' ' ' ALA . 94.6 mt -92.46 142.2 27.68 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.69 0.281 . . . . 0.0 110.467 178.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.629 HG11 HG22 ' A' ' 123' ' ' ILE . 25.1 t -99.59 115.68 41.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.392 -178.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.466 ' CZ ' HD13 ' A' ' 103' ' ' LEU . 93.0 m-85 -112.38 116.94 31.14 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.086 0.47 . . . . 0.0 109.761 177.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.471 ' HA ' ' OD1' ' A' ' 36' ' ' ASP . 1.1 p -145.16 151.47 38.49 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.881 -178.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.664 ' HB2' HH12 ' A' ' 104' ' ' ARG . 3.7 t70 73.32 11.22 4.98 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.567 0.699 . . . . 0.0 109.624 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.14 -4.71 84.61 Favored Glycine 0 N--CA 1.442 -0.913 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.309 -175.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -127.56 175.1 8.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.252 0.548 . . . . 0.0 111.672 -176.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.466 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 59.5 tp -80.14 126.61 31.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.071 177.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.735 ' HG2' HG23 ' A' ' 123' ' ' ILE . 0.5 OUTLIER -98.45 -34.05 10.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.136 0.493 . . . . 0.0 110.154 -179.17 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 159.04 -137.88 5.39 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.39 -178.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.502 ' HB1' HD21 ' A' ' 96' ' ' LEU . . . -147.54 165.35 30.61 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.213 -0.292 . . . . 0.0 110.213 -179.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.803 HD21 ' HB ' ' A' ' 95' ' ' THR . 3.4 mm? -82.25 76.92 9.1 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 176.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.2 p -85.48 71.71 10.74 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.412 0.625 . . . . 0.0 110.954 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -110.4 -166.25 19.34 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.715 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 48.2 mm -105.08 -60.75 2.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.823 0.311 . . . . 0.0 111.453 -178.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.487 ' HB3' ' HD3' ' A' ' 112' ' ' PRO . 3.5 t60 -168.15 -53.54 0.0 OUTLIER Pre-proline 0 CA--C 1.539 0.523 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -174.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.487 ' HD3' ' HB3' ' A' ' 111' ' ' HIS . 98.4 Cg_endo -84.2 -162.0 0.15 Allowed 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 121.932 1.755 . . . . 0.0 113.324 -174.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -110.86 77.94 1.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.521 178.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -140.38 -47.43 0.43 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.288 0.566 . . . . 0.0 110.352 177.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.461 ' O ' HD21 ' A' ' 119' ' ' LEU . 1.8 pm0 -68.05 -27.72 66.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.234 -0.893 . . . . 0.0 110.243 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 43.1 mt -54.99 -37.66 66.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.726 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.34 -44.57 94.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.007 0.432 . . . . 0.0 110.764 -178.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.4 m -70.62 -43.52 69.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.981 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.461 HD21 ' O ' ' A' ' 115' ' ' GLU . 2.9 mm? -62.26 -50.91 69.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.732 -179.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.586 ' O ' HG21 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -65.6 -30.42 71.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.059 -176.068 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -58.13 -40.83 82.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.9 0.381 . . . . 0.0 111.065 -177.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 34.9 t -76.46 -34.36 58.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.64 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.735 HG23 ' HG2' ' A' ' 104' ' ' ARG . 83.2 mt -73.0 -49.82 36.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.553 -176.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.586 HG21 ' O ' ' A' ' 120' ' ' MET . 35.0 m -100.36 67.96 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 122.391 1.091 . . . . 0.0 109.23 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -39.38 -47.93 1.84 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 113.176 -1.829 . . . . 0.0 113.087 -176.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.416 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . 10.5 t -155.41 140.65 12.35 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-O 120.744 0.306 . . . . 0.0 111.092 -179.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 126' ' ' THR . 13.6 Cg_exo -69.8 130.75 19.83 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.814 2.343 . . . . 0.0 110.608 172.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 62.08 93.91 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 O-C-N 123.786 0.679 . . . . 0.0 110.829 -175.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -57.97 -54.59 45.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.451 -177.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -120.57 128.61 53.23 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -77.84 81.62 4.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.246 0.546 . . . . 0.0 111.603 -176.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.2 t -112.71 113.11 25.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.589 0.709 . . . . 0.0 109.993 173.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 28.7 m -85.22 -5.03 9.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.626 -177.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 . . . . . 0 C--N 1.325 -0.469 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.537 -178.233 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.9 mmm . . . . . 0 N--CA 1.483 1.176 0 CA-C-O 120.762 0.315 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.24 159.22 42.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.14 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 62.18 29.97 17.6 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 123.455 0.472 . . . . 0.0 110.581 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -54.12 132.35 42.79 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.59 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.8 m -122.86 78.65 49.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.961 0.41 . . . . 0.0 110.827 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -100.89 -171.39 0.1 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.178 0 C-N-CA 123.468 2.778 . . . . 0.0 112.044 176.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -128.72 -67.27 0.8 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.431 176.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.8 m -69.0 -33.19 73.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.143 0.497 . . . . 0.0 110.865 -178.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.441 ' O ' ' HD2' ' A' ' 13' ' ' ARG . . . -63.3 -27.81 69.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.705 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.527 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 92.5 mt -60.94 -51.67 68.29 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.549 0.214 . . . . 0.0 110.843 -179.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.59 ' CZ3' ' HG3' ' A' ' 21' ' ' PRO . 2.3 m95 -62.72 -36.09 81.84 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.143 179.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -61.64 -39.69 92.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.316 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.441 ' HD2' ' O ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -70.8 -38.32 73.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.052 176.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.595 HD21 ' HB2' ' A' ' 19' ' ' TRP . 74.8 mt -66.58 -52.79 41.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.154 -177.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.6 mp -54.89 -24.57 23.99 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.895 178.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.0 m -58.52 -43.45 89.16 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.358 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -166.99 -49.13 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -177.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.446 ' O ' ' HB2' ' A' ' 19' ' ' TRP . . . -96.89 132.97 11.21 Favored Glycine 0 C--O 1.226 -0.399 0 C-N-CA 120.323 -0.941 . . . . 0.0 112.988 -173.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.595 ' HB2' HD21 ' A' ' 14' ' ' LEU . 21.1 m95 73.48 117.23 0.05 Allowed 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.809 0.814 . . . . 0.0 111.228 -178.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -114.09 136.02 22.16 Favored Pre-proline 0 C--N 1.318 -0.773 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.233 -177.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.678 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 6.7 Cg_exo -74.11 134.4 19.39 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.183 1.922 . . . . 0.0 110.932 171.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.457 HG12 ' HB1' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -97.98 -178.04 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.103 0.478 . . . . 0.0 111.635 -179.348 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.525 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 61.8 mt-10 -139.36 164.75 29.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.493 -174.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.463 ' O ' HG13 ' A' ' 27' ' ' VAL . . . -79.32 -46.18 18.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.038 0.447 . . . . 0.0 111.16 -176.14 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.8 m -79.21 -15.12 58.53 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.833 -177.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.9 m -105.58 -20.12 13.56 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.834 -176.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.625 ' O ' HG13 ' A' ' 31' ' ' ILE . 14.4 p -60.91 -35.54 65.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 O-C-N 122.178 -0.326 . . . . 0.0 111.006 -177.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -65.74 -31.43 72.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.282 0.563 . . . . 0.0 110.556 -176.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.505 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 32.4 t70 -85.91 -36.78 19.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.321 178.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.524 ' O ' HG21 ' A' ' 34' ' ' VAL . 60.2 t90 -58.29 -41.51 84.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.619 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.625 HG13 ' O ' ' A' ' 27' ' ' VAL . 96.7 mt -54.42 -50.86 54.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.148 -178.356 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.505 ' HE2' ' HA ' ' A' ' 29' ' ' ASP . 31.6 mtmt -60.43 -57.83 11.08 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.38 0.609 . . . . 0.0 110.695 179.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.6 ttt-85 -53.55 -46.65 70.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.296 -1.32 . . . . 0.0 112.481 -171.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.524 HG21 ' O ' ' A' ' 30' ' ' TRP . 22.1 m -83.53 -31.49 8.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.024 -178.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.55 -52.99 3.92 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.214 178.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -126.14 124.22 40.04 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.942 0.401 . . . . 0.0 110.087 -175.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.554 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . 175.72 -176.65 47.51 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 111.736 -0.546 . . . . 0.0 111.736 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.524 HG13 ' HA ' ' A' ' 97' ' ' VAL . 14.7 m -139.88 139.89 36.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.916 0.358 . . . . 0.0 111.211 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.457 HG21 HG21 ' A' ' 83' ' ' ILE . 2.2 mp -108.08 119.05 56.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 mp -91.7 125.2 36.34 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 174.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.418 HD12 ' HZ ' ' A' ' 87' ' ' PHE . 10.2 mp -81.55 107.08 14.02 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 173.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.527 ' HA ' ' O ' ' A' ' 76' ' ' ASP . 14.0 m 66.79 169.94 0.24 Allowed 'General case' 0 CA--C 1.533 0.297 0 O-C-N 123.724 0.64 . . . . 0.0 110.529 -171.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.1 p -113.24 -87.8 0.56 Allowed 'General case' 0 C--N 1.323 -0.574 0 O-C-N 122.116 -0.365 . . . . 0.0 110.944 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.786 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 25.0 t70 -125.08 -48.62 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.531 178.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.786 ' HD2' ' H ' ' A' ' 44' ' ' ASP . 19.2 Cg_endo -59.74 120.2 7.87 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 121.649 1.566 . . . . 0.0 110.647 170.298 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 46' ' ' ARG . 42.2 mtt180 -137.04 159.01 43.14 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -175.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -53.99 -41.92 68.43 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.246 0.546 . . . . 0.0 110.364 178.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 48' ' ' THR . 5.5 t -154.69 86.51 3.53 Favored Pre-proline 0 N--CA 1.447 -0.582 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.967 174.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -66.21 -43.19 9.03 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.469 2.113 . . . . 0.0 112.591 -178.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 65.97 -71.59 0.09 Allowed 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.841 0.713 . . . . 0.0 111.646 -178.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.4 m -82.88 166.76 2.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.663 0.268 . . . . 0.0 110.538 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.4 m -109.12 107.46 17.77 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -178.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -153.11 121.83 6.42 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -103.21 148.72 36.09 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.967 0.413 . . . . 0.0 111.511 -170.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -78.41 5.64 5.35 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.325 2.017 . . . . 0.0 112.227 178.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.3 t -68.46 -23.46 28.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 121.356 0.598 . . . . 0.0 109.918 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -63.49 -31.11 72.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.941 177.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.5 mp -68.13 -36.01 73.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-O 121.108 0.48 . . . . 0.0 109.833 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.75 -37.07 85.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.874 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.555 ' OE2' ' HD3' ' A' ' 63' ' ' ARG . 7.6 tp10 -71.22 -40.36 71.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.713 178.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.1 tt -56.44 -46.63 80.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.276 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.419 ' O ' HD21 ' A' ' 62' ' ' LEU . 5.0 tt -51.61 -41.58 61.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.936 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.555 ' HD3' ' OE2' ' A' ' 60' ' ' GLU . 74.6 mtp180 -66.21 -38.05 87.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.172 -172.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.466 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 10.0 pt-20 -104.3 22.76 14.25 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -171.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -99.16 101.36 12.4 Favored Pre-proline 0 C--N 1.331 -0.236 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 174.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.466 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 92.3 Cg_endo -91.35 11.23 2.54 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 123.006 2.471 . . . . 0.0 113.826 -173.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.99 -79.88 0.41 Allowed 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.271 -177.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -108.26 157.6 18.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.071 0.462 . . . . 0.0 111.354 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -105.75 95.11 5.57 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.554 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -100.92 165.89 11.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.27 0.557 . . . . 0.0 112.126 -173.179 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.493 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 1.9 mp0 -103.54 119.87 39.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.271 178.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.8 t -91.35 128.18 43.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.807 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.457 ' HB1' HG12 ' A' ' 22' ' ' VAL . . . -131.65 141.79 49.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.845 -179.099 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.678 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 3.5 p -132.75 140.66 46.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.478 -177.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.8 161.03 13.88 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 177.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.531 ' CG ' ' H ' ' A' ' 77' ' ' LEU . 4.0 p-10 -74.21 -91.26 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.599 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.555 HD21 ' O ' ' A' ' 45' ' ' PRO . 82.3 mt -142.63 -49.3 0.35 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.185 0.517 . . . . 0.0 110.283 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -70.52 -33.4 71.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.866 -177.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.423 ' O ' HG13 ' A' ' 83' ' ' ILE . 2.9 mp0 -75.0 -32.35 61.63 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.782 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.8 m -50.71 -53.71 29.14 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -176.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -66.56 -42.16 87.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.735 0.303 . . . . 0.0 111.169 -177.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.69 -41.84 98.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.217 -179.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.457 HG21 HG21 ' A' ' 39' ' ' ILE . 79.8 mt -68.46 -40.08 81.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.101 176.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.617 ' HA2' ' CE1' ' A' ' 87' ' ' PHE . . . -60.82 -37.31 93.46 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.528 178.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -60.44 -38.2 83.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.87 0.367 . . . . 0.0 110.625 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.427 ' HB3' ' O ' ' A' ' 83' ' ' ILE . 3.0 tpm_? -48.7 -49.4 38.08 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.376 177.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.617 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 3.1 p90 -106.1 14.98 27.02 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.791 0.329 . . . . 0.0 111.603 -179.081 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 63.87 21.69 12.73 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.401 174.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.461 ' HB ' ' CD1' ' A' ' 87' ' ' PHE . 61.9 t -120.47 93.58 2.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.108 0.48 . . . . 0.0 109.761 178.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 90' ' ' ARG . 0.2 OUTLIER -133.13 25.55 4.22 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.84 -177.629 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 92' ' ' PHE . 37.0 ttt85 -104.32 110.36 22.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.744 176.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' A' ' 91' ' ' ARG . 63.3 m-85 71.36 151.77 0.14 Allowed Pre-proline 0 N--CA 1.47 0.537 0 O-C-N 124.054 0.846 . . . . 0.0 111.6 -177.131 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 92' ' ' PHE . 6.6 Cg_exo -74.01 110.72 3.14 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.689 2.259 . . . . 0.0 111.58 176.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -128.93 174.15 9.77 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.787 -177.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.0 m -124.97 123.03 39.0 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.481 ' HB3' HD11 ' A' ' 103' ' ' LEU . 6.2 mp -98.43 143.87 28.4 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.943 -178.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.524 ' HA ' HG13 ' A' ' 38' ' ' VAL . 46.3 t -99.71 113.83 36.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.824 -175.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.444 ' CE2' HD12 ' A' ' 103' ' ' LEU . 87.2 m-85 -108.64 119.93 40.97 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.768 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.635 ' OG1' ' HG3' ' A' ' 104' ' ' ARG . 0.5 OUTLIER -148.37 150.78 34.16 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.886 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.47 ' HB2' ' O ' ' A' ' 99' ' ' THR . 4.6 m-20 69.26 12.81 8.5 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.532 0.52 . . . . 0.0 110.692 -174.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.92 12.48 83.38 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.648 -176.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -132.32 167.42 19.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.05 0.452 . . . . 0.0 111.107 -177.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.481 HD11 ' HB3' ' A' ' 96' ' ' LEU . 45.6 tp -87.68 109.87 20.0 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.711 176.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.635 ' HG3' ' OG1' ' A' ' 99' ' ' THR . 18.5 mmt180 -82.92 -38.02 23.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.733 -178.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.409 ' HA3' HD11 ' A' ' 123' ' ' ILE . . . 172.67 -145.82 8.74 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.278 -178.293 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' A' ' 96' ' ' LEU . . . -134.62 162.25 32.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.689 0.244 . . . . 0.0 110.885 -177.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.24 14.53 23.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.785 0.802 . . . . 0.0 109.126 -178.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.2 m -129.1 97.36 4.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.017 -176.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -121.87 -67.29 0.24 Allowed Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 174.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.437 ' O ' ' HB2' ' A' ' 111' ' ' HIS . 10.5 tt -143.84 97.08 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 173.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.437 ' HB2' ' O ' ' A' ' 110' ' ' ILE . 91.8 m-70 71.71 139.41 0.06 OUTLIER Pre-proline 0 N--CA 1.47 0.571 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.405 -172.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.83 -43.66 55.1 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.902 2.401 . . . . 0.0 112.81 -177.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -116.62 103.3 10.24 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.005 -178.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -176.83 -59.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.361 175.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.459 ' O ' HD23 ' A' ' 119' ' ' LEU . 17.4 mm-40 -74.38 -6.51 48.57 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.259 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.632 ' HA ' ' HB2' ' A' ' 119' ' ' LEU . 17.9 mt -54.77 -32.43 60.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.773 0.321 . . . . 0.0 111.047 175.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.2 -35.84 78.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.77 177.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.7 m -87.18 -34.78 18.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.968 0.413 . . . . 0.0 110.172 177.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.632 ' HB2' ' HA ' ' A' ' 116' ' ' LEU . 1.2 mm? -54.66 -49.56 70.31 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.516 177.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.76 ' HA ' HG21 ' A' ' 124' ' ' VAL . 22.0 ptp -66.1 -12.59 56.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.466 -178.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.552 ' HA ' ' CZ ' ' A' ' 121' ' ' ARG . 2.8 tpm_? -99.87 -55.36 2.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.237 0.541 . . . . 0.0 110.744 177.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.7 t -75.5 -52.36 10.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.077 -171.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.455 HD12 HD12 ' A' ' 119' ' ' LEU . 47.0 mt -93.01 -50.34 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -171.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.76 HG21 ' HA ' ' A' ' 120' ' ' MET . 6.0 m -110.7 61.79 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.336 0.588 . . . . 0.0 110.999 -178.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.06 -59.57 4.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.778 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.763 ' HB ' ' HG3' ' A' ' 130' ' ' GLN . 37.4 m 73.61 125.3 0.03 OUTLIER Pre-proline 0 CA--C 1.534 0.332 0 O-C-N 123.658 0.599 . . . . 0.0 111.665 176.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 126' ' ' THR . 21.5 Cg_exo -66.62 151.13 83.4 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 122.997 2.465 . . . . 0.0 113.035 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 62.66 -97.07 0.06 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.281 -0.872 . . . . 0.0 113.115 176.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -101.93 123.15 45.35 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -169.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.763 ' HG3' ' HB ' ' A' ' 126' ' ' THR . 0.0 OUTLIER -176.31 173.99 2.04 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.471 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 74.97 -66.31 0.3 Allowed 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.381 0.672 . . . . 0.0 112.075 172.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 4.4 t -65.51 107.11 1.59 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.344 0.592 . . . . 0.0 111.32 -176.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.767 HG22 ' H ' ' A' ' 134' ' ' GLN . 2.4 m -131.69 -76.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.719 179.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.767 ' H ' HG22 ' A' ' 133' ' ' VAL . 52.3 tt0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.73 0.3 . . . . 0.0 110.318 -177.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.5 mtt . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 120.341 0.115 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 60.5 65.1 1.09 Allowed 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.804 0.69 . . . . 0.0 112.537 172.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -145.22 83.66 1.68 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 170.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -127.56 92.27 3.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.221 -173.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.3 t -79.82 146.07 63.48 Favored Pre-proline 0 C--N 1.319 -0.733 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 175.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.448 ' HG2' HG23 ' A' ' 51' ' ' VAL . 31.7 Cg_exo -60.45 81.68 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.989 2.459 . . . . 0.0 112.566 179.17 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -159.75 -153.64 0.36 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.468 -1.242 . . . . 0.0 108.262 179.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.4 m -61.3 -14.54 27.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.687 0.279 . . . . 0.0 111.595 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.48 -29.73 69.91 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-O 121.034 0.445 . . . . 0.0 110.529 174.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -73.65 -41.21 63.03 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 177.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 45.3 t-105 -64.17 -31.19 72.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.173 176.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -56.74 -31.11 64.23 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.091 0.472 . . . . 0.0 110.99 178.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -62.08 -28.25 69.48 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.938 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.614 HD22 ' HB2' ' A' ' 19' ' ' TRP . 37.5 mt -73.65 -29.77 62.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.449 0.642 . . . . 0.0 110.573 -178.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 mp -73.68 -26.36 60.69 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.819 175.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.4 m -64.81 -50.82 65.21 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.924 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -178.19 -32.56 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 178.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.594 ' O ' ' HA ' ' A' ' 14' ' ' LEU . . . -71.2 132.1 20.83 Favored Glycine 0 C--O 1.226 -0.382 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.51 -176.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.614 ' HB2' HD22 ' A' ' 14' ' ' LEU . 29.7 m0 62.46 -172.18 0.16 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.373 0.606 . . . . 0.0 111.645 -179.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.408 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 27.9 mm-40 -149.16 128.19 6.19 Favored Pre-proline 0 N--CA 1.444 -0.748 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.58 175.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 20' ' ' GLN . 1.7 Cg_endo -81.48 108.12 1.9 Allowed 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 122.718 2.279 . . . . 0.0 111.586 177.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.459 HG12 ' HB2' ' A' ' 73' ' ' ALA . 5.4 m -92.49 -173.05 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.415 -177.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.503 ' HB3' HG22 ' A' ' 26' ' ' THR . 2.5 tm-20 -133.62 179.54 6.16 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.819 -172.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.6 -32.24 12.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.327 -176.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.499 ' H ' ' CD ' ' A' ' 23' ' ' GLU . 3.8 m -90.76 -37.7 13.5 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.828 0.347 . . . . 0.0 111.071 -179.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.503 HG22 ' HB3' ' A' ' 23' ' ' GLU . 1.1 t -72.78 -7.46 50.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.752 0.31 . . . . 0.0 111.509 -177.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -58.91 -34.68 53.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.391 -175.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -59.53 -53.91 52.68 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.045 0.45 . . . . 0.0 110.7 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -70.8 -38.19 73.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.911 -175.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.598 ' O ' HG22 ' A' ' 34' ' ' VAL . 26.9 t90 -61.23 -52.31 65.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.553 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.0 mm -63.08 -42.42 96.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.9 0.381 . . . . 0.0 110.735 -178.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.484 ' HB3' ' HE3' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -65.72 -32.14 73.52 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.16 179.733 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -75.92 -47.05 26.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.002 0.43 . . . . 0.0 110.892 -175.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.598 HG22 ' O ' ' A' ' 30' ' ' TRP . 25.3 m -85.4 -52.1 12.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.396 -178.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.95 -26.02 14.52 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.168 -0.539 . . . . 0.0 111.858 -177.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -128.91 139.32 52.18 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 122.747 0.419 . . . . 0.0 110.073 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 157.21 171.1 22.86 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.487 178.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.542 HG11 ' HA ' ' A' ' 97' ' ' VAL . 28.8 m -134.0 136.05 54.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.933 0.397 . . . . 0.0 111.046 179.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.444 HD13 ' CE1' ' A' ' 98' ' ' PHE . 2.3 mp -107.0 124.39 62.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.661 175.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.679 ' HG ' HG12 ' A' ' 58' ' ' ILE . 0.8 OUTLIER -82.94 121.43 26.97 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 175.408 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.3 mp -88.65 116.44 26.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.36 177.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.7 m 64.67 -169.27 0.2 Allowed 'General case' 0 C--N 1.333 -0.148 0 O-C-N 123.809 0.693 . . . . 0.0 111.836 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.0 m -143.57 25.78 1.64 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.3 -0.864 . . . . 0.0 108.81 174.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -65.13 142.51 98.61 Favored Pre-proline 0 C--O 1.235 0.304 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.721 -177.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -73.11 174.78 11.46 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.546 2.164 . . . . 0.0 112.009 178.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.441 ' HD3' ' HA ' ' A' ' 46' ' ' ARG . 21.4 mmt180 -66.82 -29.96 70.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.919 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.54 ' HG2' ' OG1' ' A' ' 48' ' ' THR . 0.0 OUTLIER -178.04 -41.83 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 O-C-N 123.534 0.521 . . . . 0.0 110.466 171.858 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.54 ' OG1' ' HG2' ' A' ' 47' ' ' ARG . 1.6 m -119.24 111.31 36.88 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.164 -176.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -91.61 110.11 0.3 Allowed 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 122.62 2.213 . . . . 0.0 111.966 174.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.05 -71.66 0.51 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 176.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.448 HG23 ' HG2' ' A' ' 6' ' ' PRO . 7.7 p -72.73 -29.27 29.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.334 178.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.6 m 67.41 171.26 0.26 Allowed 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.447 175.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.5 t0 42.08 69.1 0.39 Allowed 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.571 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -149.97 98.33 3.36 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.535 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -85.79 13.56 2.71 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 123.306 2.671 . . . . 0.0 112.214 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.8 m -73.76 107.33 4.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.542 0.687 . . . . 0.0 111.14 -178.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 46.3 ttm 173.44 -46.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.735 -1.12 . . . . 0.0 109.133 -177.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.679 HG12 ' HG ' ' A' ' 40' ' ' LEU . 2.8 mp -73.04 -25.39 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.387 -179.266 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.56 -45.59 82.74 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 174.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.417 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 1.7 mp0 -63.78 -38.0 89.45 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.322 174.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.534 ' HB2' ' HA ' ' A' ' 58' ' ' ILE . 0.1 OUTLIER -53.71 -53.49 51.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.125 176.212 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.621 HD23 ' HB ' ' A' ' 72' ' ' VAL . 14.3 tp -69.64 -37.26 76.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.899 -174.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.417 ' HG2' ' HA ' ' A' ' 60' ' ' GLU . 11.5 ptm180 -74.37 -2.31 24.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.874 0.369 . . . . 0.0 111.636 -173.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -86.11 -3.33 58.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.444 175.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.8 96.17 19.22 Favored Pre-proline 0 C--N 1.334 -0.101 0 CA-C-O 120.896 0.379 . . . . 0.0 111.086 177.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -93.29 16.32 1.28 Allowed 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 123.063 2.509 . . . . 0.0 111.904 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.64 -64.68 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.74 -174.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.411 ' HD1' ' H ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -132.21 152.95 51.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.112 0.482 . . . . 0.0 111.686 -175.356 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -94.24 129.14 40.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.34 -175.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -149.04 179.02 8.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.564 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -94.42 148.09 22.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.102 0.477 . . . . 0.0 111.753 -176.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.621 ' HB ' HD23 ' A' ' 62' ' ' LEU . 6.8 p -123.06 133.37 69.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.672 175.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.459 ' HB2' HG12 ' A' ' 22' ' ' VAL . . . -143.07 157.74 44.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.945 0.403 . . . . 0.0 111.573 -177.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.503 HG11 ' CE3' ' A' ' 19' ' ' TRP . 24.1 m -133.49 161.68 40.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.946 -178.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.91 157.38 46.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.063 0.458 . . . . 0.0 111.759 -177.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -67.88 151.89 46.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.205 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.5 tt -57.71 -46.88 83.78 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.404 -177.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.68 -36.61 82.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.176 0.512 . . . . 0.0 110.362 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.46 ' OE1' ' HG2' ' A' ' 23' ' ' GLU . 1.8 tt0 -67.77 -39.08 84.14 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.148 -179.136 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.458 ' HA ' ' HB ' ' A' ' 83' ' ' ILE . 39.5 t -59.06 -29.6 67.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.572 179.048 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -61.06 -42.91 99.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.24 0.543 . . . . 0.0 109.659 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.25 -28.68 53.71 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.693 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.458 ' HB ' ' HA ' ' A' ' 80' ' ' SER . 66.7 mt -66.84 -51.12 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.57 177.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.09 -28.91 69.72 Favored Glycine 0 C--O 1.226 -0.367 0 C-N-CA 120.743 -0.742 . . . . 0.0 111.573 176.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -69.79 -38.99 76.85 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.613 0.72 . . . . 0.0 110.35 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -53.64 -57.59 10.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.507 -1.224 . . . . 0.0 112.219 -178.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.424 ' O ' ' HB3' ' A' ' 88' ' ' ASN . 0.5 OUTLIER -91.86 -15.72 27.76 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.208 -175.696 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.424 ' HB3' ' O ' ' A' ' 87' ' ' PHE . 52.8 t30 80.43 68.49 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 O-C-N 124.743 1.277 . . . . 0.0 109.737 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 23.5 t -129.45 152.36 37.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.032 -178.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -71.3 150.7 44.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.054 178.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -90.37 92.75 9.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.954 0.407 . . . . 0.0 111.859 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -140.36 152.49 66.9 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 173.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -53.98 103.23 0.09 OUTLIER 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.624 2.216 . . . . 0.0 111.734 177.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.618 ' HB1' ' HG ' ' A' ' 108' ' ' SER . . . -147.99 159.47 43.85 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.894 -175.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 27.5 m -119.47 124.19 45.87 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.679 176.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.432 ' HB3' HD13 ' A' ' 103' ' ' LEU . 64.9 mt -92.03 124.86 36.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.009 0.433 . . . . 0.0 110.007 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.542 ' HA ' HG11 ' A' ' 38' ' ' VAL . 64.3 t -96.21 113.05 29.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.459 -178.063 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.444 ' CE1' HD13 ' A' ' 39' ' ' ILE . 84.8 m-85 -105.05 114.46 28.67 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.879 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.2 m -142.47 149.72 39.59 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 177.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.7 t70 69.95 9.64 7.17 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.792 0.806 . . . . 0.0 109.748 -176.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.23 0.76 89.44 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.568 -173.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -110.51 149.59 30.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.898 0.38 . . . . 0.0 111.184 -177.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.432 HD13 ' HB3' ' A' ' 96' ' ' LEU . 44.1 tp -72.24 97.46 1.99 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 169.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.505 ' HG3' HD13 ' A' ' 123' ' ' ILE . 22.6 tpp85 -97.33 -33.23 11.51 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.576 -168.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -133.65 147.86 19.19 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.078 -1.058 . . . . 0.0 112.992 -177.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.57 99.22 3.44 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 175.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -115.62 139.16 50.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.988 0.423 . . . . 0.0 111.483 -173.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.618 ' HG ' ' HB1' ' A' ' 94' ' ' ALA . 21.7 m -118.84 16.07 13.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.404 177.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -69.04 167.3 46.33 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 121.113 -0.565 . . . . 0.0 112.736 -177.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.447 HD13 ' N ' ' A' ' 110' ' ' ILE . 4.2 mp -94.66 -75.07 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 110.165 -179.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.65 ' HB3' ' HD3' ' A' ' 112' ' ' PRO . 2.6 t-160 -148.4 -49.68 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 177.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.65 ' HD3' ' HB3' ' A' ' 111' ' ' HIS . 4.4 Cg_exo -77.96 58.86 6.7 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.145 1.897 . . . . 0.0 110.555 168.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.687 ' CD1' ' HB2' ' A' ' 116' ' ' LEU . 3.3 p90 -71.03 -36.97 72.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.335 -173.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 68.55 -54.3 0.54 Allowed 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.755 0.659 . . . . 0.0 112.46 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -52.98 -42.07 65.2 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -174.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.687 ' HB2' ' CD1' ' A' ' 113' ' ' TRP . 14.7 mt -56.93 -32.89 66.43 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -177.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.561 ' O ' ' HB2' ' A' ' 121' ' ' ARG . 3.9 mm? -60.21 -36.29 77.33 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.814 0.34 . . . . 0.0 110.639 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.8 m -87.41 -37.16 17.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.092 0.472 . . . . 0.0 111.015 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 86.8 mt -69.24 -50.97 42.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.993 -175.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.504 ' HG3' ' O ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -71.45 -27.29 63.16 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.619 -0.432 . . . . 0.0 109.98 -177.266 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.561 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 26.7 ttt180 -56.36 -43.75 79.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.057 177.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.4 m -76.72 -30.26 56.56 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.756 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.505 HD13 ' HG3' ' A' ' 104' ' ' ARG . 87.1 mt -86.57 -50.21 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -171.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 16.9 m -105.96 68.48 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 122.023 0.916 . . . . 0.0 109.888 -175.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -50.53 -48.77 57.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.069 -1.423 . . . . 0.0 111.734 -178.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.3 m 52.3 84.86 0.2 Allowed Pre-proline 0 CA--C 1.534 0.347 0 O-C-N 123.599 0.562 . . . . 0.0 112.094 176.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.73 44.3 1.52 Allowed 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 122.693 2.262 . . . . 0.0 112.679 -177.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -163.92 152.55 13.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.623 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.56 129.25 56.65 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 174.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -123.37 123.58 41.02 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -171.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.534 ' OE2' HG13 ' A' ' 133' ' ' VAL . 4.9 tp10 70.09 153.86 0.12 Allowed 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 114.323 -1.308 . . . . 0.0 113.715 167.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 9.1 t -163.61 26.82 0.08 Allowed 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.394 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.534 HG13 ' OE2' ' A' ' 131' ' ' GLU . 3.5 m -55.86 -32.7 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -179.317 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.017 0.437 . . . . 0.0 110.331 175.604 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.7 ptm . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 71.4 152.72 0.12 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.24 -173.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -78.87 83.4 5.0 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.977 0.418 . . . . 0.0 110.96 -176.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -80.53 -20.57 43.22 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.47 0.652 . . . . 0.0 109.638 176.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.5 m -125.15 73.52 66.37 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.533 174.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -85.5 43.54 1.23 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.933 2.422 . . . . 0.0 112.748 -173.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -100.91 -22.99 14.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.8 m 58.51 22.62 9.85 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.572 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.66 -27.62 66.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.588 -178.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.668 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 2.8 mm? -52.98 -48.47 67.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.162 -179.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.551 ' HE3' ' HB2' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -59.74 -32.39 70.51 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.814 -174.909 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -62.6 -49.8 73.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.292 0.567 . . . . 0.0 110.708 178.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.47 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 18.6 mmt180 -75.09 -28.17 60.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.958 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.668 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 77.0 mt -64.48 -37.6 88.12 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 175.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.09 -26.91 67.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.784 174.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.3 m -68.58 -50.3 52.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.364 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -160.87 131.75 5.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.759 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 119.51 -66.42 0.4 Allowed Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.574 -0.822 . . . . 0.0 113.024 173.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.617 ' HB2' ' HB3' ' A' ' 14' ' ' LEU . 14.3 m95 -95.93 123.31 39.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.083 0.468 . . . . 0.0 110.83 -174.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -93.13 122.3 63.69 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.504 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.453 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 51.3 Cg_endo -72.69 102.88 1.47 Allowed 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.326 2.017 . . . . 0.0 111.44 175.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.0 m -87.28 172.36 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.481 -177.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.533 ' HG2' ' HG3' ' A' ' 79' ' ' GLN . 40.3 mt-10 -148.42 162.32 39.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.739 -173.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.64 -26.94 55.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.757 0.313 . . . . 0.0 110.792 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.6 m -66.75 -19.36 65.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.663 -178.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 t -140.37 19.6 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.074 0.464 . . . . 0.0 111.067 -177.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.424 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 13.5 p -66.13 -43.59 92.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.281 -175.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -60.29 -43.64 96.1 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.968 0.413 . . . . 0.0 110.826 -178.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -63.61 -47.61 80.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.77 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.423 ' O ' HG21 ' A' ' 34' ' ' VAL . 74.8 t90 -59.96 -48.22 82.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.856 -177.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.427 HG23 ' HB3' ' A' ' 98' ' ' PHE . 78.7 mt -58.32 -45.27 89.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.699 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -67.32 -40.02 85.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.582 0.706 . . . . 0.0 110.841 -178.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -64.13 -44.87 90.88 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.616 -1.175 . . . . 0.0 111.478 -177.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.479 ' HB ' ' NE2' ' A' ' 71' ' ' GLN . 33.7 m -83.31 -38.89 14.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.315 -179.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.9 -39.94 1.83 Allowed Glycine 0 N--CA 1.458 0.161 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.603 178.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.401 ' H ' ' C ' ' A' ' 34' ' ' VAL . 13.9 t0 -129.01 102.11 6.36 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.123 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.717 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . -165.96 -166.11 24.43 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.423 -176.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 96' ' ' LEU . 2.4 p -158.04 140.7 5.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.008 0.433 . . . . 0.0 111.599 -178.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.501 HG23 HD13 ' A' ' 41' ' ' LEU . 2.6 mp -109.92 122.43 64.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.344 176.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 tt -91.49 124.01 35.34 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 177.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.501 HD13 HG23 ' A' ' 39' ' ' ILE . 10.3 mp -101.32 112.98 25.64 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -176.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.692 ' HB2' ' HB3' ' A' ' 93' ' ' PRO . 66.5 m 64.68 137.33 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 173.395 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.7 m -90.19 94.34 9.73 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 168.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.43 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 7.2 t70 -66.53 120.01 67.35 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.512 -174.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 44' ' ' ASP . 12.8 Cg_exo -70.71 -34.3 11.62 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.787 2.325 . . . . 0.0 112.936 -176.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.534 ' HA ' ' HB3' ' A' ' 52' ' ' SER . 5.0 ptp180 178.81 107.72 0.03 OUTLIER 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.451 0.643 . . . . 0.0 110.337 -175.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -104.44 -34.18 8.34 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.651 -179.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.403 ' C ' ' H ' ' A' ' 50' ' ' GLU . 11.6 t -167.16 156.65 9.6 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 -178.098 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -67.85 44.36 0.27 Allowed 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.841 2.361 . . . . 0.0 113.034 175.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.403 ' H ' ' C ' ' A' ' 48' ' ' THR . 7.9 tp10 -152.29 95.12 2.01 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.5 t 59.48 88.07 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-O 121.567 0.698 . . . . 0.0 111.775 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.534 ' HB3' ' HA ' ' A' ' 46' ' ' ARG . 70.0 m -155.8 77.13 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.21 176.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -167.15 -144.11 0.06 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.733 -175.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.481 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 55.0 m-20 -47.26 119.05 5.94 Favored Pre-proline 0 N--CA 1.468 0.433 0 O-C-N 123.795 0.684 . . . . 0.0 112.067 -173.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 54' ' ' ASN . 3.7 Cg_exo -77.78 44.28 1.52 Allowed 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 123.604 2.869 . . . . 0.0 113.104 -176.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.2 t -75.83 -14.83 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.176 0.513 . . . . 0.0 110.535 -179.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 52.5 ttm -54.81 -45.56 74.42 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.931 -176.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.8 mp -64.78 -37.32 79.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-O 120.676 0.274 . . . . 0.0 111.111 -176.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.75 -39.12 84.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.861 0.362 . . . . 0.0 111.306 -177.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 10.9 tp10 -73.3 -39.59 65.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.149 0.5 . . . . 0.0 109.916 178.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.38 -35.2 71.64 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.927 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 59.1 tp -57.9 -45.73 86.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.059 -176.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 8.8 ptp180 -76.36 -16.38 59.75 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -173.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.489 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 7.0 tp10 -102.42 2.98 37.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.059 0.457 . . . . 0.0 110.64 -176.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.14 102.97 17.34 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.518 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 73.0 Cg_endo -91.21 0.95 4.75 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.854 2.37 . . . . 0.0 113.005 -177.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -92.64 -17.95 23.67 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -173.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.7 ' HZ ' HG13 ' A' ' 124' ' ' VAL . 74.5 m-85 -132.83 165.03 25.53 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.737 0.78 . . . . 0.0 112.931 -173.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -132.5 35.7 3.62 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 173.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.717 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . 0.1 OUTLIER -74.02 164.95 25.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.271 -1.331 . . . . 0.0 113.363 -169.871 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.479 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 2.0 mp0 -102.83 125.0 49.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.718 -1.128 . . . . 0.0 109.637 175.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.9 t -87.48 130.8 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.61 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -137.69 160.49 39.06 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.523 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.493 HG21 ' H ' ' A' ' 76' ' ' ASP . 4.4 p -139.4 141.44 35.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.61 31.79 3.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.152 -176.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.493 ' H ' HG21 ' A' ' 74' ' ' VAL . 25.6 t70 56.46 -105.98 0.3 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.668 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.412 HD12 ' C ' ' A' ' 76' ' ' ASP . 6.1 mp -140.52 -51.86 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 110.344 175.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.88 -53.15 61.52 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.453 -176.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.533 ' HG3' ' HG2' ' A' ' 23' ' ' GLU . 82.6 mm-40 -65.88 -25.67 67.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.487 -177.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.459 ' HB2' ' HG ' ' A' ' 42' ' ' SER . 9.6 m -63.43 -37.27 86.66 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.249 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -65.85 -40.17 91.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.86 0.362 . . . . 0.0 110.224 179.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.56 -39.65 91.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.836 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.7 mt -69.1 -42.54 81.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.48 177.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.405 ' HA2' HG21 ' A' ' 89' ' ' VAL . . . -64.04 -28.79 73.33 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.537 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -75.45 -40.88 56.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.95 0.405 . . . . 0.0 110.849 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -45.25 -48.37 12.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.797 -1.092 . . . . 0.0 112.326 -175.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -122.68 12.96 9.98 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.323 -178.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 50.0 t30 58.69 80.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.588 0.708 . . . . 0.0 111.949 175.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.405 HG21 ' HA2' ' A' ' 84' ' ' GLY . 4.0 t -86.39 44.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.954 175.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 62.59 12.02 5.19 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.071 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 62.6 22.84 13.57 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.35 -175.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -112.08 128.87 24.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.759 0.314 . . . . 0.0 110.729 177.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.692 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 17.1 Cg_exo -67.66 125.71 13.67 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.94 2.427 . . . . 0.0 111.536 176.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -154.39 -170.33 3.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.709 -178.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.9 m -111.48 114.81 28.17 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.542 ' O ' HG23 ' A' ' 38' ' ' VAL . 6.1 mp -103.33 127.93 50.55 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.662 0.268 . . . . 0.0 111.246 -176.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.47 HG23 HD21 ' A' ' 107' ' ' LEU . 78.4 t -80.06 127.87 39.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.159 177.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.427 ' HB3' HG23 ' A' ' 31' ' ' ILE . 79.3 m-85 -121.45 97.9 5.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.305 0.574 . . . . 0.0 110.821 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.455 HG22 ' CE1' ' A' ' 68' ' ' PHE . 50.2 p -131.95 169.97 15.55 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 178.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 71.21 5.16 5.35 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.685 0.615 . . . . 0.0 109.945 -177.098 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 63.6 27.85 71.6 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -166.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -134.57 174.17 10.85 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 121.031 0.443 . . . . 0.0 110.729 -173.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 64.6 tp -91.38 108.66 20.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.022 176.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 104' ' ' ARG . 3.3 mmp_? -76.08 -61.03 2.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.145 0.498 . . . . 0.0 109.662 176.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 158.34 -179.6 33.91 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.679 -0.692 . . . . 0.0 112.253 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.411 ' HB1' ' HG ' ' A' ' 96' ' ' LEU . . . -101.17 140.96 34.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.667 0.27 . . . . 0.0 110.971 -178.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.47 HD21 HG23 ' A' ' 97' ' ' VAL . 4.0 mm? -115.56 156.9 24.92 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.403 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 30.9 t -136.26 139.32 42.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.745 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -81.22 87.47 1.37 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.116 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 41.8 mm -78.54 -41.98 25.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.104 0.478 . . . . 0.0 110.345 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.425 ' HB3' ' HD2' ' A' ' 112' ' ' PRO . 40.1 m80 -146.5 166.24 17.33 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.422 179.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' A' ' 111' ' ' HIS . 26.5 Cg_endo -64.16 86.52 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 121.988 1.792 . . . . 0.0 110.686 169.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.923 ' HA ' HD11 ' A' ' 116' ' ' LEU . 0.0 OUTLIER 70.54 -97.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.116 -173.81 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 49.69 -86.96 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -74.81 -21.64 59.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.884 -176.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.923 HD11 ' HA ' ' A' ' 113' ' ' TRP . 37.0 mt -55.46 -31.71 62.17 Favored 'General case' 0 C--O 1.224 -0.258 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -177.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.543 HD21 ' HD1' ' A' ' 113' ' ' TRP . 3.9 mm? -53.58 -47.77 69.82 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.937 0.398 . . . . 0.0 111.404 179.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 25.3 m -75.42 -34.5 61.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.77 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.43 HD11 HD23 ' A' ' 116' ' ' LEU . 96.8 mt -64.32 -46.91 81.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.543 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.479 ' HA ' ' HE1' ' A' ' 120' ' ' MET . 0.0 OUTLIER -56.75 -47.96 78.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.344 179.445 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.538 ' O ' ' HD3' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -63.57 -40.75 97.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.893 0.377 . . . . 0.0 110.389 -177.204 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 8.5 t -69.08 -40.96 78.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.959 -177.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.562 HG23 HG11 ' A' ' 124' ' ' VAL . 75.8 mt -77.28 -49.39 22.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.814 0.34 . . . . 0.0 111.255 -178.09 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.7 HG13 ' HZ ' ' A' ' 68' ' ' PHE . 6.3 m -135.04 77.91 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.368 0.604 . . . . 0.0 111.774 -174.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -53.13 -41.5 65.13 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.35 176.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 22.9 m 71.81 98.22 0.04 OUTLIER Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.07 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.3 -18.18 26.83 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.694 2.263 . . . . 0.0 113.125 -176.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 65.39 92.06 0.08 Allowed 'General case' 0 N--CA 1.463 0.183 0 O-C-N 123.716 0.635 . . . . 0.0 110.923 -176.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.403 ' HA ' ' OG1' ' A' ' 132' ' ' THR . . . -86.83 21.16 2.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.687 -176.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -72.08 100.4 2.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 110.784 -178.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 70.81 -9.95 0.78 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.36 178.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.403 ' OG1' ' HA ' ' A' ' 129' ' ' ALA . 15.4 p -76.4 -41.74 46.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.684 0.278 . . . . 0.0 110.342 176.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 13.8 t 49.52 65.51 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-O 121.666 0.746 . . . . 0.0 110.329 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.373 -174.463 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 120.616 0.246 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.96 114.29 18.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.665 176.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 66.95 -168.62 0.2 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.152 178.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -90.54 -45.69 8.78 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.8 m -95.6 107.75 35.38 Favored Pre-proline 0 N--CA 1.447 -0.608 0 CA-C-N 115.326 -0.852 . . . . 0.0 108.981 172.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -60.27 99.41 0.14 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.886 2.39 . . . . 0.0 113.143 -174.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -126.7 109.44 12.07 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.393 175.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.7 m -64.75 120.61 12.79 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.796 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.22 -28.4 69.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.246 0.546 . . . . 0.0 110.047 177.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.609 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 59.3 tp -56.73 -37.55 71.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.718 176.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.556 ' CZ3' ' HG3' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -56.82 -37.15 70.81 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.226 -179.008 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -56.76 -44.16 81.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.05 0.452 . . . . 0.0 110.569 178.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -73.48 -31.74 63.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.918 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 58.9 mt -68.78 -42.9 76.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.716 -178.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.9 mp -62.18 -25.99 68.09 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.905 0.383 . . . . 0.0 110.882 174.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.5 m -72.79 -56.43 5.25 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 178.94 133.53 0.08 Allowed 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.609 175.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 148.23 -97.21 0.18 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.096 178.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.468 ' CH2' ' HB ' ' A' ' 58' ' ' ILE . 38.1 m0 -92.32 116.02 28.6 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 178.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.464 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 0.9 OUTLIER -88.39 131.22 42.93 Favored Pre-proline 0 C--N 1.315 -0.922 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.366 178.843 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.63 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 26.6 Cg_exo -62.44 106.3 0.48 Allowed 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.768 2.312 . . . . 0.0 112.277 -178.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.9 m -87.74 175.26 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.944 179.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.511 ' HG2' ' HB3' ' A' ' 79' ' ' GLN . 0.2 OUTLIER -153.01 178.46 9.68 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.305 -173.882 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.429 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -83.0 -34.97 26.22 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.397 0.618 . . . . 0.0 109.742 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.8 m -63.92 -30.97 72.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.096 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.2 t -121.5 16.66 11.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.673 -175.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.497 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 14.0 p -67.61 -42.22 86.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.739 0.304 . . . . 0.0 110.194 -179.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -58.06 -43.85 87.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.158 0.504 . . . . 0.0 110.665 177.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -64.25 -50.68 67.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.012 -176.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.486 ' O ' HG23 ' A' ' 34' ' ' VAL . 84.6 t90 -61.45 -44.33 97.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.981 -176.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 27' ' ' VAL . 88.6 mt -59.55 -42.78 89.19 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.084 0 CA-C-O 120.89 0.376 . . . . 0.0 110.69 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -69.79 -36.49 75.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.225 0.536 . . . . 0.0 110.966 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.474 ' HD2' ' HA ' ' A' ' 33' ' ' ARG . 9.8 mmm180 -71.17 -44.73 64.91 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.497 -174.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 30' ' ' TRP . 34.7 m -90.45 -39.75 12.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.582 -178.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.64 -54.27 3.77 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.412 -0.423 . . . . 0.0 112.356 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -122.87 123.6 41.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.862 0.363 . . . . 0.0 110.349 -177.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 172.46 -164.67 37.03 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.279 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.567 HG11 ' HA ' ' A' ' 97' ' ' VAL . 23.1 m -141.25 144.75 25.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.57 0.224 . . . . 0.0 110.805 -179.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.487 HG22 HD11 ' A' ' 41' ' ' LEU . 2.0 mp -104.72 112.33 37.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 173.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.8 tt -87.09 104.52 16.41 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 175.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.487 HD11 HG22 ' A' ' 39' ' ' ILE . 11.0 mp -62.01 128.65 37.18 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.563 0.22 . . . . 0.0 111.321 -176.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.514 ' HA ' HE22 ' A' ' 79' ' ' GLN . 83.8 p 51.56 -165.65 0.05 Allowed 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.617 0.767 . . . . 0.0 111.92 -175.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.1 m -100.22 5.9 44.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.852 0.358 . . . . 0.0 110.715 178.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.423 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 6.9 t70 -92.83 123.51 61.24 Favored Pre-proline 0 C--N 1.328 -0.353 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 178.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.707 ' HG3' ' HG3' ' A' ' 55' ' ' PRO . 21.9 Cg_exo -63.37 -40.52 31.22 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.518 2.145 . . . . 0.0 112.565 -175.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.528 ' HB2' ' O ' ' A' ' 45' ' ' PRO . 41.6 ttp180 161.26 -40.88 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 -173.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 47' ' ' ARG . 25.5 ttt85 -176.83 127.17 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.001 -1.454 . . . . 0.0 108.328 173.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.432 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 3.6 t -63.57 119.89 57.88 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-O 121.286 0.565 . . . . 0.0 110.84 178.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 48' ' ' THR . 10.1 Cg_endo -91.34 8.76 3.11 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 C-N-CA 123.41 2.74 . . . . 0.0 112.119 178.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 70.3 -58.91 0.53 Allowed 'General case' 0 CA--C 1.537 0.461 0 O-C-N 123.886 0.741 . . . . 0.0 111.546 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.6 t -53.68 -46.47 61.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 121.344 0.592 . . . . 0.0 110.642 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.1 t -121.34 74.55 1.11 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 172.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -59.92 -42.85 94.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.464 -178.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.47 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 0.9 OUTLIER -84.37 143.72 42.27 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.285 178.095 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.707 ' HG3' ' HG3' ' A' ' 45' ' ' PRO . 6.1 Cg_exo -74.64 44.59 1.12 Allowed 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.479 2.786 . . . . 0.0 112.837 -178.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.57 -17.83 17.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.069 0.462 . . . . 0.0 110.982 -177.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 72.8 mtm -59.21 -34.29 71.99 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.896 -178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.468 ' HB ' ' CH2' ' A' ' 19' ' ' TRP . 4.2 mp -68.78 -25.11 29.69 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-O 121.155 0.502 . . . . 0.0 110.65 -177.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.91 -46.77 70.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.564 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -71.78 -30.46 65.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.738 178.153 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 49.9 tp -52.33 -47.56 65.95 Favored 'General case' 0 CA--C 1.518 -0.274 0 O-C-N 123.723 0.64 . . . . 0.0 110.308 176.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.483 ' HA ' ' HE1' ' A' ' 70' ' ' TRP . 4.4 tt -54.76 -49.5 70.7 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.847 -1.07 . . . . 0.0 110.308 177.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -63.12 -50.13 71.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.675 -174.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 12.0 pt-20 -92.39 25.01 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -172.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.466 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 2.5 t80 -84.91 107.8 12.9 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 174.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 65' ' ' PHE . 2.7 Cg_endo -81.3 3.08 8.1 Favored 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 123.266 2.644 . . . . 0.0 113.136 -173.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.403 ' HG3' HG21 ' A' ' 124' ' ' VAL . 15.1 mm100 -87.75 -60.15 2.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.873 -178.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -161.15 -164.85 1.23 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.951 -176.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -116.0 148.71 39.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.739 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.483 ' HE1' ' HA ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -155.12 162.3 41.03 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.691 -177.803 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -101.17 116.2 32.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.971 0.415 . . . . 0.0 110.784 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 90.3 t -91.35 133.73 32.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.902 0.382 . . . . 0.0 110.68 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -131.21 150.72 52.03 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.133 177.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.63 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 7.9 p -118.04 144.48 25.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.156 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.448 ' HB1' ' CD ' ' A' ' 79' ' ' GLN . . . -87.12 156.44 19.71 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.688 0.28 . . . . 0.0 111.569 -174.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -64.4 -92.84 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.229 -174.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.618 ' N ' HE21 ' A' ' 79' ' ' GLN . 56.3 tp -152.2 -75.7 0.13 Allowed 'General case' 0 C--O 1.234 0.24 0 O-C-N 121.838 -0.539 . . . . 0.0 111.881 -177.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -61.57 -29.38 69.98 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 123.14 0.576 . . . . 0.0 111.582 -175.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.618 HE21 ' N ' ' A' ' 77' ' ' LEU . 1.9 pp0? -52.25 -27.95 16.85 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -177.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.8 t -50.9 -34.95 30.53 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 123.342 0.401 . . . . 0.0 111.287 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -63.21 -51.6 65.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.631 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.62 -42.69 34.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.846 -175.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 47.8 mt -59.1 -44.39 91.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.833 0.349 . . . . 0.0 111.0 -178.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.22 -35.95 92.62 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.401 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -78.75 -35.47 44.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.982 0.42 . . . . 0.0 110.678 -177.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -45.06 -52.57 8.86 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.463 -177.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -120.85 15.16 11.72 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.526 -0.469 . . . . 0.0 111.289 -177.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 63.27 80.72 0.22 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.821 -1.081 . . . . 0.0 112.564 172.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.3 t -103.51 10.16 8.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 170.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.8 ttp180 68.8 18.79 8.56 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 114.695 -1.139 . . . . 0.0 109.627 -174.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? 60.05 78.55 0.27 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.239 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.437 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 79.2 t80 -148.81 134.46 9.65 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.085 -175.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 92' ' ' PHE . 15.5 Cg_exo -68.28 115.98 4.13 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.819 2.346 . . . . 0.0 112.408 178.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -161.58 -177.81 6.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.087 178.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.5 m -110.3 117.49 33.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.556 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.798 HD11 ' HB2' ' A' ' 106' ' ' ALA . 1.0 OUTLIER -91.58 137.14 32.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.794 177.853 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.567 ' HA ' HG11 ' A' ' 38' ' ' VAL . 48.2 t -96.12 122.54 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 -176.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.448 ' CE1' HD13 ' A' ' 39' ' ' ILE . 90.5 m-85 -122.46 104.48 9.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.031 -178.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.494 ' O ' ' HB2' ' A' ' 100' ' ' ASP . 82.6 p -123.9 155.65 37.71 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 172.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.494 ' HB2' ' O ' ' A' ' 99' ' ' THR . 15.2 m-20 69.29 14.21 8.55 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 123.293 0.37 . . . . 0.0 110.464 -177.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 69.74 19.84 75.33 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 -172.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -134.29 147.75 50.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.837 0.351 . . . . 0.0 110.952 -175.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.464 HD12 HD12 ' A' ' 96' ' ' LEU . 54.5 tp -69.56 122.83 19.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.987 0.422 . . . . 0.0 110.372 177.246 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.494 ' HB3' HD13 ' A' ' 123' ' ' ILE . 35.9 mmt180 -103.99 -31.31 9.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.768 -177.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 170.21 -163.91 37.24 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.567 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.798 ' HB2' HD11 ' A' ' 96' ' ' LEU . . . -149.21 162.44 40.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.549 0.174 . . . . 0.0 110.754 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.51 HD13 HD12 ' A' ' 119' ' ' LEU . 4.4 mm? -85.39 94.24 8.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.948 0.404 . . . . 0.0 111.26 179.02 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.7 m -105.35 139.2 40.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.507 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 113.65 171.2 17.58 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.898 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 56.7 mt -124.22 89.85 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.159 0.504 . . . . 0.0 109.728 177.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.621 ' HB3' ' HB2' ' A' ' 114' ' ' ALA . 5.6 m80 -147.95 148.06 28.72 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.271 -178.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -83.01 90.44 1.02 Allowed 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.842 2.362 . . . . 0.0 111.707 176.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 4.5 t-105 74.77 -11.87 1.0 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.311 0.644 . . . . 0.0 111.08 176.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.621 ' HB2' ' HB3' ' A' ' 111' ' ' HIS . . . -73.74 -19.07 60.9 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -176.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.536 ' HG3' ' HB2' ' A' ' 111' ' ' HIS . 0.0 OUTLIER -87.29 -36.57 17.82 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.468 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.453 HD23 HD12 ' A' ' 107' ' ' LEU . 45.7 mt -57.66 -37.16 72.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.863 173.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.627 HD12 HG21 ' A' ' 132' ' ' THR . 0.3 OUTLIER -53.67 -57.22 11.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.831 -178.242 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.9 m -69.42 -39.03 78.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.28 -176.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.51 HD12 HD13 ' A' ' 107' ' ' LEU . 90.9 mt -66.05 -40.14 90.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.718 0.294 . . . . 0.0 110.729 -179.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 55.5 ttp -58.13 -43.01 87.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.35 176.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 -58.9 -45.32 90.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.348 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 39.3 m -74.63 -44.5 50.22 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -177.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.494 HD13 ' HB3' ' A' ' 104' ' ' ARG . 43.4 mm -81.38 -42.97 20.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -171.087 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.403 HG21 ' HG3' ' A' ' 67' ' ' GLN . 15.7 m -123.41 74.36 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 122.258 1.028 . . . . 0.0 111.016 -175.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -74.02 -5.25 40.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.338 -1.301 . . . . 0.0 110.955 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 22.6 p -59.5 128.95 86.71 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.013 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -82.95 149.31 13.79 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.85 2.367 . . . . 0.0 112.725 178.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -167.18 -70.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.149 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -157.42 123.15 4.68 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 176.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -137.57 110.01 7.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.38 0.61 . . . . 0.0 112.19 -172.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -139.18 99.02 3.65 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 170.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.627 HG21 HD12 ' A' ' 117' ' ' LEU . 4.2 m -90.8 99.94 12.88 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.277 -171.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 45.1 t -78.63 105.89 8.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.989 175.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 . . . . . 0 C--N 1.321 -0.657 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.686 -176.87 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 mmt . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.83 155.55 42.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.317 176.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -175.85 -35.63 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 177.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.433 ' CG ' ' H ' ' A' ' 5' ' ' THR . 14.0 t70 -116.34 -164.64 0.98 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 173.267 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.433 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 14.0 t -66.44 132.2 94.26 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 118.0 0.364 . . . . 0.0 110.454 -177.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.85 167.5 19.4 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.128 2.552 . . . . 0.0 113.14 -177.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -103.86 29.48 5.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.442 -177.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.3 m -62.87 -16.93 60.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.659 -0.701 . . . . 0.0 112.183 -175.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.94 -29.11 69.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.964 0.412 . . . . 0.0 111.45 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.5 mt -67.6 -28.33 67.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -177.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 23.4 t-105 -66.93 -28.23 68.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.631 -176.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -55.9 -40.97 73.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.251 0.548 . . . . 0.0 110.765 177.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -66.19 -39.04 89.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.145 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 70.5 mt -69.28 -43.25 74.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.766 -178.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.3 mt -59.82 -33.02 71.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.835 177.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.0 m -70.12 -27.21 64.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.897 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.589 ' HA ' ' NE ' ' A' ' 17' ' ' ARG . 1.8 mmp_? -93.85 -1.14 55.28 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.96 13.53 46.01 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.725 -0.75 . . . . 0.0 113.595 173.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.471 ' CZ3' HG11 ' A' ' 74' ' ' VAL . 14.0 m0 -73.15 123.27 23.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 117.016 0.408 . . . . 0.0 110.68 178.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.447 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 64.3 tt0 -110.26 131.27 22.11 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.661 -177.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.552 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 3.5 Cg_exo -77.47 131.32 11.47 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.994 2.463 . . . . 0.0 111.95 176.311 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.406 HG12 ' HB2' ' A' ' 73' ' ' ALA . 10.6 m -121.89 -179.21 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.139 0.495 . . . . 0.0 112.119 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -142.81 175.96 9.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.409 -177.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.551 ' HB2' ' HB2' ' A' ' 86' ' ' ARG . . . -83.94 -21.37 31.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.07 178.193 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 m -79.8 -42.48 24.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.162 0.506 . . . . 0.0 111.022 -177.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.2 t -96.63 5.1 51.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.57 -175.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 24' ' ' ALA . 14.6 p -63.09 -40.06 87.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 120.627 0.251 . . . . 0.0 110.787 -176.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -60.59 -41.83 95.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.286 0.565 . . . . 0.0 110.599 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.526 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 28.0 t70 -77.49 -39.61 45.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.094 -175.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.483 ' O ' HG23 ' A' ' 34' ' ' VAL . 68.5 t90 -64.45 -48.25 76.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.169 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.418 HD12 ' CD1' ' A' ' 39' ' ' ILE . 30.8 mm -60.16 -47.06 93.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.931 -177.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.526 ' HE3' ' HA ' ' A' ' 29' ' ' ASP . 20.6 pttp -67.98 -33.13 74.04 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.308 -176.097 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.8 ttm-85 -72.96 -47.41 45.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.381 . . . . 0.0 110.956 -177.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.524 ' HB ' ' NE2' ' A' ' 71' ' ' GLN . 23.6 m -81.03 -34.33 13.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.24 -177.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.12 -52.71 4.75 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.025 177.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -123.06 120.29 32.87 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.906 0.384 . . . . 0.0 110.004 -177.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.74 173.68 46.26 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 121.132 -0.556 . . . . 0.0 111.877 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.531 HG13 ' HA ' ' A' ' 97' ' ' VAL . 18.1 m -132.91 141.05 45.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 O-C-N 122.728 -0.278 . . . . 0.0 110.867 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.468 HD13 ' CE1' ' A' ' 98' ' ' PHE . 2.2 mp -107.8 114.68 47.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -96.29 118.78 33.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.484 177.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.0 mp -79.96 119.12 22.38 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 175.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.2 m 69.31 -172.2 0.18 Allowed 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.732 0.645 . . . . 0.0 111.104 -175.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.8 p -95.29 -66.91 0.88 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.919 0.39 . . . . 0.0 110.574 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -140.95 137.6 17.21 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.07 176.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.12 153.97 75.88 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.931 2.42 . . . . 0.0 112.27 -179.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.0 ptt85 -74.88 67.8 1.69 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.42 0.629 . . . . 0.0 112.115 -176.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -88.65 -49.31 6.95 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 168.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.5 m -129.46 91.09 42.25 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.039 -0.982 . . . . 0.0 108.853 168.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -77.67 15.91 1.18 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 123.09 2.527 . . . . 0.0 113.405 -173.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.403 ' O ' ' HB ' ' A' ' 51' ' ' VAL . 40.4 mt-10 -102.37 116.2 32.14 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.911 178.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 50' ' ' GLU . 92.5 t 74.54 -69.7 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.085 -175.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.8 t 177.41 135.41 0.07 Allowed 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -80.81 -17.92 49.22 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 70.49 128.45 0.03 OUTLIER Pre-proline 0 N--CA 1.467 0.399 0 CA-C-N 114.636 -1.165 . . . . 0.0 111.729 175.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.445 ' HG3' ' HH2' ' A' ' 19' ' ' TRP . 19.7 Cg_endo -59.16 -31.89 96.2 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.717 2.278 . . . . 0.0 112.311 178.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.5 t 63.54 -74.17 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 C-N-CA 123.543 0.737 . . . . 0.0 112.645 177.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.496 ' SD ' HD11 ' A' ' 107' ' ' LEU . 46.2 ttm -63.85 -43.97 94.54 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -170.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.4 mp -56.19 -49.69 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-O 120.654 0.264 . . . . 0.0 111.376 -177.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.38 -42.86 95.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.23 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -69.06 -43.11 75.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.891 -177.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.435 HD13 HD13 ' A' ' 116' ' ' LEU . 16.5 tp -64.1 -40.62 96.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.048 -177.314 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 68.5 tp -48.43 -39.04 21.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.811 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.37 20.77 18.48 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.602 -176.124 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -128.57 -19.71 3.72 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.4 112.51 15.1 Favored Pre-proline 0 N--CA 1.464 0.247 0 CA-C-O 120.794 0.33 . . . . 0.0 111.504 -176.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -96.34 13.51 1.06 Allowed 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 123.447 2.765 . . . . 0.0 112.849 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -92.21 -58.86 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.175 -177.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -155.49 169.37 24.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.955 -175.267 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -99.41 118.96 37.19 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 177.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -120.09 157.09 29.69 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.929 0.395 . . . . 0.0 110.69 177.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.524 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 2.1 mp0 -91.6 129.08 37.64 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.478 -178.057 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 91.9 t -88.87 116.55 30.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.23 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.406 ' HB2' HG12 ' A' ' 22' ' ' VAL . . . -123.59 133.71 53.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.441 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.552 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 10.4 m -129.49 156.49 41.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 -178.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.454 ' HB3' ' HB3' ' A' ' 79' ' ' GLN . . . -120.6 153.87 36.21 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -173.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -66.25 162.63 19.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.834 174.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.9 tt -56.25 -40.28 73.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.973 0.416 . . . . 0.0 110.48 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -68.68 -43.6 75.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.794 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.454 ' HB3' ' HB3' ' A' ' 75' ' ' ALA . 1.6 mp0 -62.95 -30.19 71.38 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.264 178.096 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.7 m -55.47 -48.28 74.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.348 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -72.13 -33.56 67.89 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.325 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.47 -44.77 93.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.556 177.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.533 ' HA ' ' HB1' ' A' ' 24' ' ' ALA . 67.8 mt -68.02 -40.77 83.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.246 177.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.17 -39.53 96.02 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.654 175.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -60.49 -39.6 88.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.151 0.5 . . . . 0.0 111.283 177.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.551 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -50.09 -46.37 53.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.585 179.344 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.505 ' CD1' ' HB ' ' A' ' 89' ' ' VAL . 7.6 p90 -109.98 14.0 23.19 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.5 t30 63.25 30.8 15.76 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 122.877 0.471 . . . . 0.0 111.544 172.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.505 ' HB ' ' CD1' ' A' ' 87' ' ' PHE . 98.4 t -134.59 115.9 20.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 122.091 -0.381 . . . . 0.0 110.802 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.9 ttp180 -117.43 29.92 7.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.511 0.672 . . . . 0.0 109.347 177.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -80.09 89.89 5.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.945 -178.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 71.35 155.3 0.15 Allowed Pre-proline 0 N--CA 1.468 0.467 0 O-C-N 123.884 0.74 . . . . 0.0 112.101 176.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -77.73 102.0 1.54 Allowed 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.571 2.181 . . . . 0.0 110.714 171.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -119.43 174.77 6.18 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.271 -175.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.6 m -117.5 117.06 28.42 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.4 mp -91.93 135.05 34.24 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.079 -178.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.531 ' HA ' HG13 ' A' ' 38' ' ' VAL . 48.9 t -96.79 118.31 42.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.068 -176.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.491 ' CE2' HD12 ' A' ' 103' ' ' LEU . 37.9 m-85 -116.23 118.0 31.59 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.56 178.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.1 p -139.66 151.72 46.17 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.3 t70 72.23 3.7 4.77 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.851 0.834 . . . . 0.0 110.378 -177.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.29 0.83 79.57 Favored Glycine 0 N--CA 1.443 -0.887 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.969 -173.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -120.29 159.97 23.93 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 121.248 0.547 . . . . 0.0 111.704 178.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.491 HD12 ' CE2' ' A' ' 98' ' ' PHE . 52.6 tp -82.01 127.71 33.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.26 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.555 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 1.2 mmp_? -91.35 -41.46 10.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.56 179.005 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 161.0 -172.61 37.31 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.152 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -103.87 137.72 41.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.909 0.385 . . . . 0.0 110.84 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.496 HD11 ' SD ' ' A' ' 57' ' ' MET . 1.3 tm? -92.0 115.19 27.85 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 25.0 m -152.85 163.45 39.73 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.802 ' HA3' ' HG3' ' A' ' 115' ' ' GLU . . . -179.57 175.73 47.14 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.011 179.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 40.7 pt -101.64 -8.37 9.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.191 0.519 . . . . 0.0 110.74 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -110.97 143.02 27.43 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.826 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.19 -32.93 97.97 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.71 2.274 . . . . 0.0 112.196 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 16.2 t-105 -161.57 107.0 1.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.286 177.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 179.9 -34.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.279 0.561 . . . . 0.0 110.069 178.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.802 ' HG3' ' HA3' ' A' ' 109' ' ' GLY . 1.5 mm-40 -59.87 -30.67 69.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.247 -173.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.435 HD13 HD13 ' A' ' 61' ' ' LEU . 73.2 mt -57.4 -35.52 70.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.371 -176.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.23 -36.05 76.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.74 0.305 . . . . 0.0 111.49 -173.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.3 m -87.3 -40.97 14.02 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.791 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.538 ' O ' HG12 ' A' ' 123' ' ' ILE . 95.6 mt -67.62 -49.52 62.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 112.014 -175.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 62.8 mtm -58.35 -35.49 72.01 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 111.449 0.166 . . . . 0.0 111.449 -174.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 121' ' ' ARG . 41.5 mtt180 -56.1 -53.9 51.5 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.902 0.382 . . . . 0.0 111.705 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.3 t -70.62 -30.34 66.97 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.117 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.538 HG12 ' O ' ' A' ' 119' ' ' LEU . 39.6 mm -70.04 -48.87 60.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.475 -178.227 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.527 HG13 HG21 ' A' ' 123' ' ' ILE . 5.3 m -133.11 75.66 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.392 0.615 . . . . 0.0 111.551 -177.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.0 -45.39 90.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.501 175.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.8 m 59.77 97.62 0.04 OUTLIER Pre-proline 0 C--O 1.235 0.334 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.552 173.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -65.29 134.85 40.65 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.505 2.137 . . . . 0.0 111.532 176.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 66.93 25.13 9.48 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.888 -0.597 . . . . 0.0 112.062 177.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.4 155.39 31.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.283 176.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -80.51 132.89 35.75 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 178.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.33 142.8 27.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.071 0.462 . . . . 0.0 111.373 -178.081 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 34.3 m -155.44 91.36 1.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.735 177.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 16.1 m -131.54 132.78 62.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.109 0.48 . . . . 0.0 111.513 -177.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.833 175.015 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.1 mt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.659 0.266 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -60.64 -38.98 86.61 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.949 -177.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -68.31 -41.73 80.45 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.201 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -74.67 -31.31 61.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.46 -176.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.467 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.6 pp -74.71 -30.68 61.62 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.267 0.556 . . . . 0.0 110.073 177.235 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.467 ' N ' HD12 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -60.21 -25.71 65.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.992 -1.003 . . . . 0.0 110.391 175.692 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.3 m -64.08 -26.31 68.49 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.023 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -142.15 102.26 4.08 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.126 0.788 . . . . 0.0 113.126 -175.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.14 -37.81 3.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.96 -0.638 . . . . 0.0 113.586 168.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -92.29 140.63 29.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.018 0.437 . . . . 0.0 111.491 -176.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.465 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 35.9 tt0 -151.69 127.9 5.17 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.615 176.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.626 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 3.0 Cg_exo -74.64 116.74 4.7 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.568 2.179 . . . . 0.0 111.497 178.023 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.482 ' CG1' ' HB1' ' A' ' 73' ' ' ALA . 16.6 m -109.37 -170.39 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.742 -176.464 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.509 ' HB2' HG22 ' A' ' 26' ' ' THR . 32.0 mt-10 -141.92 -170.44 3.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.148 -171.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.455 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -106.29 -50.59 3.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.586 0.232 . . . . 0.0 111.605 -177.089 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.5 m -72.09 1.21 7.8 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -175.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.509 HG22 ' HB2' ' A' ' 23' ' ' GLU . 9.7 t -137.08 13.58 3.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.814 0.34 . . . . 0.0 110.884 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 24' ' ' ALA . 10.8 p -73.14 -35.13 46.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.598 -177.243 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.25 -48.8 67.93 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.178 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -68.61 -35.0 76.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -177.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.444 ' O ' HG22 ' A' ' 34' ' ' VAL . 81.8 t90 -62.09 -49.43 75.98 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.043 0.449 . . . . 0.0 110.084 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 48.6 mt -61.78 -43.28 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.344 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 tmmm? -62.45 -38.45 89.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.724 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -68.14 -46.27 71.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.006 -173.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 30' ' ' TRP . 33.9 m -93.29 -42.28 13.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.56 -175.517 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.79 6.38 67.02 Favored Glycine 0 CA--C 1.516 0.11 0 CA-C-N 116.295 -0.411 . . . . 0.0 113.137 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.414 ' H ' HG23 ' A' ' 34' ' ' VAL . 24.4 t70 -160.75 104.33 1.37 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -175.102 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.546 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . 167.79 -174.63 42.79 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.611 -178.503 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.581 HG12 ' HA ' ' A' ' 97' ' ' VAL . 27.1 m -135.18 148.75 28.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.507 0.194 . . . . 0.0 110.926 -177.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 mp -109.16 120.46 60.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 172.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 tt -95.44 118.71 32.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.762 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.557 HD13 HD23 ' A' ' 96' ' ' LEU . 10.5 mp -81.52 139.73 34.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.264 178.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.432 ' HB2' ' HB2' ' A' ' 80' ' ' SER . 5.1 m . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.008 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.1 t . . . . . 0 N--CA 1.455 -0.215 0 CA-C-O 120.864 0.364 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.8 mtt -56.62 -37.26 70.47 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.479 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.6 mp -65.86 -41.31 89.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-O 121.062 0.458 . . . . 0.0 109.932 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.496 ' O ' ' HD3' ' A' ' 63' ' ' ARG . . . -65.66 -36.16 82.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.209 177.158 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.587 ' HA ' ' NH1' ' A' ' 63' ' ' ARG . 8.3 tp10 -62.06 -54.26 43.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.671 176.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -53.73 -44.41 69.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.588 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.508 HD13 HG23 ' A' ' 72' ' ' VAL . 55.3 tp -47.94 -47.86 32.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.063 -178.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.587 ' NH1' ' HA ' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -83.53 -26.3 30.26 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -177.586 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.416 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 6.0 mm-40 -81.98 1.85 33.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.807 0.336 . . . . 0.0 111.326 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -97.77 105.57 27.86 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.253 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 96.5 Cg_endo -90.43 -0.34 5.3 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 122.961 2.441 . . . . 0.0 113.286 -176.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.1 -68.92 0.45 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -177.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.632 ' HD1' ' H ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -137.51 163.44 31.13 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.09 -177.288 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -102.26 80.17 1.93 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.537 -174.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.546 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -89.29 167.01 13.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.046 179.72 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -115.75 143.63 45.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.599 -175.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.508 HG23 HD13 ' A' ' 62' ' ' LEU . 64.6 t -103.06 101.73 12.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.333 0.587 . . . . 0.0 111.166 -176.057 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.482 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -96.17 126.19 41.21 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.449 176.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.626 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 29.5 m -118.89 148.88 21.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-O 120.846 0.355 . . . . 0.0 111.085 -174.009 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.583 ' HB1' ' HB2' ' A' ' 79' ' ' GLN . . . -95.76 139.24 32.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.077 176.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.429 ' OD1' HD22 ' A' ' 77' ' ' LEU . 5.7 t70 -61.97 -71.67 0.15 Allowed 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.433 0.458 . . . . 0.0 110.829 -175.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.546 ' HG ' ' N ' ' A' ' 78' ' ' GLU . 2.3 pt? -154.52 -65.31 0.13 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.726 174.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.546 ' N ' ' HG ' ' A' ' 77' ' ' LEU . 40.1 tt0 -65.36 -32.5 74.17 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.062 0.458 . . . . 0.0 110.927 -177.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.583 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . 14.2 mm-40 -54.83 -30.0 56.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.381 -177.531 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.432 ' HB2' ' HB2' ' A' ' 42' ' ' SER . 17.7 t -56.23 -40.55 74.27 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.567 -176.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.828 ' HA ' ' HD3' ' A' ' 90' ' ' ARG . 35.6 tt0 -63.2 -47.46 82.49 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.726 -176.474 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.45 -43.64 85.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.954 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 67.8 mt -65.4 -49.1 80.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.544 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.562 ' HA3' ' HB2' ' A' ' 90' ' ' ARG . . . -65.59 -32.09 82.13 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.834 -178.341 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -71.15 -39.68 71.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.197 0.523 . . . . 0.0 110.198 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -49.51 -40.13 36.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.702 -1.135 . . . . 0.0 112.619 -175.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.446 ' HD1' HG23 ' A' ' 89' ' ' VAL . 2.0 p90 -123.14 14.82 9.82 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 59.5 t30 56.75 73.77 0.44 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.562 -0.744 . . . . 0.0 112.072 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.662 HG21 HD11 ' A' ' 96' ' ' LEU . 79.5 t -136.76 -17.31 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.274 176.025 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.828 ' HD3' ' HA ' ' A' ' 81' ' ' GLU . 53.1 ttp85 -63.71 117.98 7.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.121 0.486 . . . . 0.0 111.019 -175.023 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -178.0 -35.45 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -150.94 152.14 31.13 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 114.815 -1.084 . . . . 0.0 108.962 176.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -58.63 114.77 2.13 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.652 2.235 . . . . 0.0 111.947 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.81 163.8 32.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.3 m -118.79 124.08 46.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.038 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.743 HD13 ' HB2' ' A' ' 106' ' ' ALA . 1.9 mm? -89.58 133.77 34.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.697 0.284 . . . . 0.0 110.31 -176.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.581 ' HA ' HG12 ' A' ' 38' ' ' VAL . 42.1 t -98.58 114.84 37.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.676 -175.515 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -108.56 101.25 10.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.242 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.403 HG23 HG12 ' A' ' 97' ' ' VAL . 24.7 p -112.66 138.15 49.88 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.968 -178.066 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.7 t70 70.88 12.49 7.11 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.676 0.61 . . . . 0.0 110.279 -178.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.07 5.26 86.06 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.969 -174.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -122.35 147.02 46.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.159 0.504 . . . . 0.0 111.609 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.41 HD11 HD12 ' A' ' 96' ' ' LEU . 55.8 tp -77.28 123.28 26.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.835 176.528 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.6 ' HA ' ' NE ' ' A' ' 104' ' ' ARG . 4.1 mmp_? -119.88 -40.89 2.7 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -178.553 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -150.51 -171.21 18.55 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.062 -1.066 . . . . 0.0 112.605 -177.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.743 ' HB2' HD13 ' A' ' 96' ' ' LEU . . . -154.08 147.4 24.88 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.811 0.338 . . . . 0.0 110.564 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -98.98 120.32 39.23 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.72 ' HB2' HD13 ' A' ' 110' ' ' ILE . 10.5 p -91.12 -39.94 11.87 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -173.046 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 82.22 36.91 16.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.112 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.72 HD13 ' HB2' ' A' ' 108' ' ' SER . 1.7 mp -93.17 -39.75 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -116.18 101.18 53.92 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 177.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -44.1 109.3 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 124.118 3.212 . . . . 0.0 114.07 -172.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.756 ' HA ' HD12 ' A' ' 116' ' ' LEU . 6.3 t-105 72.0 -37.76 0.4 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 114.691 -1.141 . . . . 0.0 112.924 173.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.13 -36.23 67.99 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.796 0.331 . . . . 0.0 111.83 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -77.9 -18.07 56.57 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.86 -177.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.756 HD12 ' HA ' ' A' ' 113' ' ' TRP . 24.7 mt -63.72 -37.26 86.7 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 175.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.512 ' O ' ' HB2' ' A' ' 121' ' ' ARG . 79.7 mt -71.7 -41.92 68.02 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.157 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.0 m -81.98 -44.09 17.16 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -175.094 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 86.3 mt -73.42 -48.93 29.88 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 122.381 -0.2 . . . . 0.0 111.514 -175.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 25.8 mmt -64.49 -31.25 72.39 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.185 -0.206 . . . . 0.0 111.02 -177.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.512 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 2.9 tmt_? -58.97 -35.89 73.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.355 0.598 . . . . 0.0 109.97 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 26.3 t -76.31 -30.63 57.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 62.8 mt -83.29 -46.3 18.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.133 0.492 . . . . 0.0 110.81 -176.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.1 m -125.98 87.4 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-O 121.991 0.9 . . . . 0.0 109.332 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.1 t70 . . . . . 0 C--N 1.322 -0.623 0 CA-C-N 113.966 -1.47 . . . . 0.0 111.991 177.995 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.4 mt . . . . . 0 CA--C 1.528 0.1 0 CA-C-O 120.649 0.261 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.524 ' HZ3' HD11 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -64.99 -32.58 74.38 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-O 121.171 0.51 . . . . 0.0 109.961 -179.583 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -78.08 -38.89 43.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.045 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -73.89 -28.63 61.65 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -176.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.42 HD21 ' HA ' ' A' ' 11' ' ' TRP . 4.4 pp -69.79 -26.91 64.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.379 0.609 . . . . 0.0 110.04 176.037 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.524 HD11 ' HZ3' ' A' ' 11' ' ' TRP . 86.2 mt -74.25 -27.59 60.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.995 175.123 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 43.6 m -56.45 -43.01 79.1 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.394 -176.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -163.47 106.97 1.01 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.816 178.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.16 -64.77 0.58 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.508 -0.853 . . . . 0.0 113.069 175.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -91.58 167.36 12.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.218 0.532 . . . . 0.0 111.076 -173.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.407 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 26.8 tt0 -156.85 135.79 7.89 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.299 176.078 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.75 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 11.8 Cg_exo -72.65 124.74 10.0 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.342 2.028 . . . . 0.0 111.264 176.439 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.514 HG13 ' HB1' ' A' ' 73' ' ' ALA . 14.6 m -93.42 -177.38 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.36 -178.216 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.577 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -141.93 -170.02 3.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.094 -175.349 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.434 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -107.72 -36.0 6.53 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.179 0.514 . . . . 0.0 110.19 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.9 m -69.41 -28.45 66.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.885 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.8 t -120.48 15.92 12.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.519 -175.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.577 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 13.9 p -69.38 -35.57 67.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-O 120.904 0.383 . . . . 0.0 110.406 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -65.66 -47.24 76.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.676 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -60.17 -41.88 93.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.544 178.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.464 ' O ' HG22 ' A' ' 34' ' ' VAL . 33.4 t90 -63.9 -49.51 72.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.645 -178.298 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.496 HD11 ' CD1' ' A' ' 39' ' ' ILE . 29.6 mm -63.47 -39.69 86.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.91 0.386 . . . . 0.0 110.951 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.417 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -63.26 -32.82 74.32 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.667 177.173 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.22 -45.78 17.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.201 -176.029 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 30' ' ' TRP . 34.5 m -85.1 -41.43 15.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -175.341 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.15 -45.25 2.76 Favored Glycine 0 C--N 1.329 0.186 0 C-N-CA 121.443 -0.408 . . . . 0.0 112.641 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -122.99 104.41 9.21 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.764 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . -166.81 -165.69 24.64 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.805 -177.583 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 96' ' ' LEU . 2.4 p -155.14 139.89 9.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.225 0.536 . . . . 0.0 111.503 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.496 ' CD1' HD11 ' A' ' 31' ' ' ILE . 1.9 mp -109.01 115.8 50.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.757 177.094 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.542 ' HB3' HG23 ' A' ' 74' ' ' VAL . 2.7 tt -79.12 108.24 12.47 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 174.525 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.591 ' HB3' ' H ' ' A' ' 94' ' ' ALA . 9.7 tp -72.23 128.71 36.52 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.7 -177.166 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.591 ' HB2' ' HB3' ' A' ' 93' ' ' PRO . 21.6 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.914 -177.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.461 0.124 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 95.4 mmm -53.17 -34.62 57.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.133 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 58' ' ' ILE . 2.9 mp -71.94 -32.78 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.93 0.395 . . . . 0.0 110.292 -179.258 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.52 -32.18 70.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.074 0.464 . . . . 0.0 110.19 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.59 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.9 tp10 -71.17 -43.68 67.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.343 174.109 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.0 tp -53.7 -41.91 67.46 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.891 177.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 63.8 tp -48.58 -47.43 39.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.951 -1.022 . . . . 0.0 112.322 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.59 ' HD3' ' OE1' ' A' ' 60' ' ' GLU . 0.8 OUTLIER -82.56 -25.84 32.95 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.212 -178.112 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.44 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 6.7 mm-40 -79.11 -10.56 59.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.443 ' HD1' ' HB2' ' A' ' 67' ' ' GLN . 0.1 OUTLIER -106.87 97.12 16.39 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.028 -178.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 96.8 Cg_endo -89.19 9.49 3.52 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.812 2.342 . . . . 0.0 111.726 178.016 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.443 ' HB2' ' HD1' ' A' ' 65' ' ' PHE . 14.4 mm100 -89.27 -22.3 22.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.088 -174.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -134.25 159.78 39.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.259 0.552 . . . . 0.0 112.174 -173.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.65 22.96 13.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.991 -1.004 . . . . 0.0 108.366 171.343 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.764 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -54.57 154.63 4.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.07 -1.423 . . . . 0.0 114.007 -172.49 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -92.18 119.79 32.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.668 173.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 45.3 t -84.99 129.52 37.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.015 0.436 . . . . 0.0 110.899 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.514 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -134.46 159.4 41.22 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.673 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.75 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 7.2 p -136.04 150.09 27.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 -179.009 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.34 169.57 16.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.99 0.424 . . . . 0.0 111.535 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -82.72 23.25 0.82 Allowed 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.49 0.662 . . . . 0.0 110.592 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 54.9 tp 76.74 -60.1 0.48 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.393 1.077 . . . . 0.0 111.439 176.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -77.64 -45.73 24.16 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.956 0.408 . . . . 0.0 110.34 -176.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.551 ' HG2' ' HG2' ' A' ' 23' ' ' GLU . 4.1 tp-100 -54.67 -24.68 22.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.985 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.562 ' OG ' ' HG ' ' A' ' 41' ' ' LEU . 43.3 t -51.1 -36.81 42.25 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.96 178.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -62.35 -43.36 99.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.69 0.281 . . . . 0.0 110.745 -177.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.03 -33.0 74.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.847 177.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.412 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 65.7 mt -68.44 -49.55 64.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.345 177.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.54 ' HA2' ' CE1' ' A' ' 87' ' ' PHE . . . -63.87 -29.95 76.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.049 178.153 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -68.11 -38.88 82.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.166 0.508 . . . . 0.0 110.73 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.459 ' HA ' ' HE ' ' A' ' 86' ' ' ARG . 2.9 tpm_? -49.7 -48.47 49.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.876 -179.372 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.54 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 2.6 p90 -107.05 -0.85 22.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.623 0.249 . . . . 0.0 111.212 -178.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 50.28 69.21 0.65 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.591 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 91.6 t -130.55 94.87 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.316 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.2 mmm-85 59.94 -163.87 0.23 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.154 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 68.1 ttt180 -150.97 30.95 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.587 0.708 . . . . 0.0 109.398 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -128.58 154.21 79.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.508 -176.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.591 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 15.4 Cg_endo -57.94 119.79 7.27 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.923 2.416 . . . . 0.0 112.6 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.591 ' H ' ' HB3' ' A' ' 41' ' ' LEU . . . -145.3 172.45 13.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.981 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 35.0 m -114.04 115.62 27.88 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.515 ' O ' HG23 ' A' ' 38' ' ' VAL . 5.3 mp -105.49 127.22 52.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.87 0.367 . . . . 0.0 110.558 -178.49 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 81.7 t -89.75 116.87 31.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.928 -178.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.427 ' CZ ' HD13 ' A' ' 103' ' ' LEU . 45.3 m-85 -112.61 94.88 5.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.835 178.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 40.5 p -131.7 151.17 51.84 Favored 'General case' 0 C--N 1.311 -1.071 0 C-N-CA 120.881 -0.327 . . . . 0.0 110.215 -176.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.1 t70 69.7 9.4 7.17 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.776 0.673 . . . . 0.0 110.457 -177.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.77 1.8 84.9 Favored Glycine 0 N--CA 1.443 -0.847 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.454 -174.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -115.42 148.13 39.73 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 117.094 0.447 . . . . 0.0 111.809 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.445 HD11 ' HB3' ' A' ' 96' ' ' LEU . 43.1 tp -77.26 102.01 6.5 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 169.42 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.445 HH11 ' HD3' ' A' ' 104' ' ' ARG . 10.6 mmm180 -74.53 -28.31 60.91 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.929 -174.118 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 153.08 177.71 26.92 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.392 -0.909 . . . . 0.0 112.547 178.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.472 ' HB2' ' HG ' ' A' ' 96' ' ' LEU . . . -117.86 138.55 52.03 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.831 0.348 . . . . 0.0 110.433 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -104.31 129.51 52.17 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.102 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.4 p -95.86 3.98 53.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.174 0.511 . . . . 0.0 111.527 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -80.44 71.4 2.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.874 177.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 15.3 tt -71.32 -26.93 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -175.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.69 ' HB3' ' HD3' ' A' ' 112' ' ' PRO . 7.0 t-160 -145.01 -54.06 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.487 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.379 -177.699 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.69 ' HD3' ' HB3' ' A' ' 111' ' ' HIS . 17.0 Cg_exo -67.96 127.0 15.34 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 122.055 1.836 . . . . 0.0 111.648 177.735 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -98.67 95.28 7.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.036 0.446 . . . . 0.0 110.391 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -147.88 -56.66 0.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.619 176.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -67.35 -25.98 66.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.078 -175.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 20.1 mt -54.33 -36.56 63.9 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.97 -178.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 117' ' ' LEU . 1.4 tm? -66.91 -49.22 66.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.938 0.399 . . . . 0.0 110.095 -177.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 24.6 m -71.29 -41.83 69.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.234 -177.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.63 -40.49 88.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.936 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 43.6 ttm -56.06 -41.46 75.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.624 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 21.2 ttm-85 -54.99 -51.21 66.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.158 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.3 m -75.41 -45.53 38.34 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.332 -177.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 74.6 mt -68.26 -49.25 68.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -173.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 19.6 m -115.44 45.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.516 0.674 . . . . 0.0 110.869 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.1 t70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.487 173.103 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.429 ' HA ' HD22 ' A' ' 10' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.212 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -54.75 -40.39 69.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.009 175.136 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -69.4 -34.12 74.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.738 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -64.12 -28.23 69.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.077 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.8 mt -64.07 -37.02 85.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.432 177.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mp -64.87 -24.23 67.47 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.538 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.9 m -64.69 -25.84 68.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.253 0.549 . . . . 0.0 110.279 175.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.477 ' NE ' ' HA ' ' A' ' 17' ' ' ARG . 6.9 mmp_? -106.89 -133.95 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.605 178.058 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.13 -124.83 1.9 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.74 175.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.5 m95 64.21 112.3 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.735 0.779 . . . . 0.0 111.617 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.95 106.98 59.73 Favored Pre-proline 0 C--N 1.317 -0.839 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.932 -178.231 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.644 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 31.1 Cg_exo -61.82 109.72 0.84 Allowed 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 122.868 2.379 . . . . 0.0 111.844 174.521 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.7 m -98.75 -173.66 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.88 -174.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -144.03 168.33 20.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.581 -173.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.85 -23.9 31.12 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 168.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.3 m -71.69 -23.89 61.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.155 -0.929 . . . . 0.0 111.064 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.9 p -127.07 16.1 7.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.647 -177.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.9 p -64.3 -40.38 88.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.669 0.271 . . . . 0.0 110.929 -176.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -69.66 -30.1 67.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.241 0.543 . . . . 0.0 110.186 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -78.51 -44.26 24.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.931 -177.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.441 ' CZ2' ' HB2' ' A' ' 73' ' ' ALA . 68.0 t90 -59.87 -51.42 69.8 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.772 -178.183 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.9 mt -57.62 -39.69 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 121.132 0.491 . . . . 0.0 110.593 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.476 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -64.29 -35.41 80.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.457 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -80.21 -45.44 18.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.804 0.335 . . . . 0.0 110.929 -176.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 30' ' ' TRP . 33.6 m -76.03 -41.71 38.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.311 -174.767 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.32 -50.65 4.36 Favored Glycine 0 N--CA 1.451 -0.31 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 -177.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -127.01 142.0 51.65 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.476 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . 160.52 -163.04 33.81 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.419 178.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 96' ' ' LEU . 1.8 p -154.2 137.48 7.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.977 0.417 . . . . 0.0 111.779 -176.363 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.527 HD13 ' CE1' ' A' ' 98' ' ' PHE . 2.3 mp -103.47 120.31 53.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.676 176.412 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.462 HD22 ' O ' ' A' ' 42' ' ' SER . 0.5 OUTLIER -89.77 116.16 27.66 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.692 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.452 HD12 HG22 ' A' ' 39' ' ' ILE . 10.4 mp -80.63 100.5 8.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.575 0.226 . . . . 0.0 110.891 179.522 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.462 ' O ' HD22 ' A' ' 40' ' ' LEU . 58.3 m . . . . . 0 N--CA 1.467 0.406 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.565 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.428 ' O ' ' HB3' ' A' ' 57' ' ' MET . 29.5 m . . . . . 0 C--O 1.234 0.251 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.428 ' HB3' ' O ' ' A' ' 56' ' ' VAL . 46.2 ttm 74.82 -48.39 0.64 Allowed 'General case' 0 N--CA 1.471 0.602 0 O-C-N 123.83 0.706 . . . . 0.0 111.734 177.197 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.416 HD13 HD11 ' A' ' 40' ' ' LEU . 53.6 mt -58.53 -49.4 82.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.6 -178.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 63' ' ' ARG . . . -64.69 -47.03 79.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.076 -177.122 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -57.87 -49.33 77.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.221 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.9 tp -52.96 -51.22 62.19 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.713 0.768 . . . . 0.0 111.046 178.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.528 ' HG ' ' NE1' ' A' ' 70' ' ' TRP . 9.8 mp -71.12 -15.08 62.49 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.598 -1.183 . . . . 0.0 112.361 -174.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 59' ' ' ALA . 23.9 mtp180 -87.31 -43.48 12.13 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.791 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -92.56 13.2 20.53 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.347 -177.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.461 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 1.3 t80 -81.79 103.8 2.52 Favored Pre-proline 0 C--N 1.33 -0.257 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 172.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 65' ' ' PHE . 2.5 Cg_endo -80.77 -5.11 13.08 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.975 2.45 . . . . 0.0 113.214 -170.211 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.93 -27.13 16.54 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.394 -174.337 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.589 ' HZ ' HG11 ' A' ' 124' ' ' VAL . 90.7 m-85 -134.95 145.1 47.84 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -173.378 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -117.37 65.7 0.73 Allowed 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 164.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.528 ' NE1' ' HG ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -79.25 162.94 25.35 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.545 -172.557 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -90.05 122.98 33.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.313 -176.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.5 HG22 HD23 ' A' ' 62' ' ' LEU . 14.3 t -91.7 124.94 44.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.264 -173.369 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.441 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . . . -116.22 148.58 40.28 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.277 177.535 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.644 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 8.5 p -139.35 142.66 32.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.78 0.324 . . . . 0.0 110.517 -178.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.518 ' HB1' ' HB2' ' A' ' 79' ' ' GLN . . . -108.67 153.4 23.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.266 177.505 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.07 -96.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.363 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.0 mt -133.71 -52.43 0.86 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.178 -0.327 . . . . 0.0 110.806 -177.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -76.61 -32.91 58.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.023 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.518 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . 84.0 mm-40 -63.52 -39.42 94.38 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 112.179 -175.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.439 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . 31.9 p -54.72 -51.53 65.32 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -175.066 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -67.95 -33.43 74.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.729 0.3 . . . . 0.0 110.778 -177.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.76 -40.09 88.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.931 0.396 . . . . 0.0 110.42 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 81.3 mt -66.93 -37.7 79.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.304 0.573 . . . . 0.0 109.908 174.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.492 ' HA2' HG23 ' A' ' 89' ' ' VAL . . . -65.17 -27.83 72.82 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.337 177.642 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -75.48 -34.5 60.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.077 0.465 . . . . 0.0 110.158 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 -47.03 -40.38 14.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.706 -1.133 . . . . 0.0 112.452 -175.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.575 ' CE1' HG22 ' A' ' 89' ' ' VAL . 49.3 p90 -131.2 4.64 4.41 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.887 177.196 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 64.99 82.12 0.19 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.313 175.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.575 HG22 ' CE1' ' A' ' 87' ' ' PHE . 16.7 t -69.12 -82.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.94 177.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.428 ' O ' ' HB2' ' A' ' 91' ' ' ARG . 10.0 tpp180 -162.08 9.87 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.012 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.428 ' HB2' ' O ' ' A' ' 90' ' ' ARG . 30.7 mmt180 66.07 29.16 10.14 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.586 -173.05 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.417 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 72.2 m-85 -135.33 146.8 59.44 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.925 176.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 92' ' ' PHE . 14.4 Cg_exo -69.38 137.77 37.39 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.858 2.372 . . . . 0.0 111.938 177.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -152.21 -176.91 5.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.67 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.569 ' HB ' ' HB2' ' A' ' 107' ' ' LEU . 3.7 m -116.65 115.23 25.28 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.326 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 38' ' ' VAL . 50.4 mt -98.93 128.54 45.12 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.768 0.285 . . . . 0.0 111.768 -171.042 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 57.8 t -96.91 124.89 49.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.06 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.527 ' CE1' HD13 ' A' ' 39' ' ' ILE . 93.5 m-85 -121.14 126.95 51.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.025 0.44 . . . . 0.0 110.854 -178.328 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.1 p -142.64 142.55 32.1 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.683 176.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 65.34 20.32 11.8 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.782 0.325 . . . . 0.0 110.987 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.94 14.56 75.97 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.95 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -123.49 150.08 44.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.643 0.258 . . . . 0.0 110.819 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.417 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 58.7 tp -81.02 119.41 23.48 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 177.314 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.519 ' HG2' HG23 ' A' ' 123' ' ' ILE . 0.5 OUTLIER -96.99 -26.26 15.08 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.563 -177.125 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 165.62 -170.32 40.41 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.268 -0.968 . . . . 0.0 112.579 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.417 ' HB2' HD23 ' A' ' 96' ' ' LEU . . . -140.94 146.69 37.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.85 0.357 . . . . 0.0 110.903 -178.162 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.569 ' HB2' ' HB ' ' A' ' 95' ' ' THR . 4.0 mm? -78.42 106.35 10.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.58 178.116 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.4 m -93.89 98.52 11.11 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.723 175.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -76.05 67.16 2.44 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.749 -177.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 39.1 pt -116.68 2.23 7.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.021 0.439 . . . . 0.0 110.47 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -144.03 151.62 52.82 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.093 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -71.31 -179.72 3.83 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 123.078 2.518 . . . . 0.0 112.808 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 3.7 t-105 -70.05 101.11 1.74 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.528 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -173.08 -47.4 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.345 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -75.22 -1.66 24.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.14 -176.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 47.4 mt -59.55 -35.09 73.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.694 176.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.25 -41.91 94.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.187 -179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 30.8 m -80.07 -43.56 21.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.105 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.33 -48.6 74.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.833 -176.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.527 ' HE2' ' HA ' ' A' ' 120' ' ' MET . 26.0 mmt -68.56 -21.47 64.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.254 -176.312 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.46 ' O ' ' HD3' ' A' ' 121' ' ' ARG . 2.3 tmt_? -64.83 -32.85 74.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.892 0.377 . . . . 0.0 110.702 -177.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 38.3 t -73.96 -30.37 62.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.016 0.436 . . . . 0.0 110.739 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.519 HG23 ' HG2' ' A' ' 104' ' ' ARG . 60.5 mt -86.34 -50.72 13.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.06 -178.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.589 HG11 ' HZ ' ' A' ' 68' ' ' PHE . 2.3 m -153.27 82.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.883 -177.052 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 . . . . . 0 C--N 1.327 -0.412 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 178.658 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.461 ' HG ' HG22 ' A' ' 56' ' ' VAL . 1.5 tm? . . . . . 0 CA--C 1.527 0.095 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.47 ' HE3' ' HA ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -61.64 -39.04 89.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.413 176.833 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -60.85 -40.61 93.54 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.857 175.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -61.09 -42.75 99.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.455 HD22 ' CD1' ' A' ' 19' ' ' TRP . 60.9 mt -66.65 -39.25 88.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.213 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 11' ' ' TRP . 96.0 mt -64.72 -26.94 68.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.856 176.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 57.1 m -66.8 -48.89 67.57 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 175.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -172.64 112.08 0.25 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.765 175.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.8 153.67 5.95 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.261 176.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.455 ' CD1' HD22 ' A' ' 14' ' ' LEU . 15.4 m95 62.41 -164.67 0.25 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.9 0.381 . . . . 0.0 111.167 177.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -153.65 110.48 2.55 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.004 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -66.68 96.03 0.35 Allowed 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.455 2.104 . . . . 0.0 111.045 172.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.1 m -93.32 170.34 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.379 0.609 . . . . 0.0 112.027 -175.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -148.88 161.23 42.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.715 -1.13 . . . . 0.0 109.043 -175.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.55 -28.52 64.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.004 0.43 . . . . 0.0 110.594 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.4 m -64.09 -30.0 71.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.014 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.6 t -128.26 12.3 6.53 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 120.964 -0.295 . . . . 0.0 111.675 -174.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.0 p -65.95 -34.6 71.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.795 0.331 . . . . 0.0 110.748 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -59.95 -52.99 63.02 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.832 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -61.94 -42.28 98.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.048 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.588 ' O ' HG22 ' A' ' 34' ' ' VAL . 15.9 t90 -59.62 -53.82 53.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.611 -178.604 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.456 HD11 HD11 ' A' ' 39' ' ' ILE . 45.9 mm -60.39 -42.39 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.245 -178.021 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -62.09 -49.03 77.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.316 0.579 . . . . 0.0 111.604 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -67.58 -45.92 74.16 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.988 -174.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.588 HG22 ' O ' ' A' ' 30' ' ' TRP . 21.8 m -84.57 -36.55 11.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.816 -174.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.26 -53.02 4.74 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.203 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -116.99 122.39 44.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.012 0.434 . . . . 0.0 110.476 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.62 173.4 46.26 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.373 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.599 HG12 ' HA ' ' A' ' 97' ' ' VAL . 15.5 m -136.23 135.35 49.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.75 0.309 . . . . 0.0 111.21 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.456 HD11 HD11 ' A' ' 31' ' ' ILE . 2.6 mp -102.54 115.05 43.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 173.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 tt -85.97 120.7 27.65 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.455 ' O ' ' HA ' ' A' ' 93' ' ' PRO . 10.6 mp -86.28 105.87 16.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.001 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.9 t . . . . . 0 CA--C 1.533 0.324 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.417 175.202 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.461 HG22 ' HG ' ' A' ' 10' ' ' LEU . 49.4 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.136 0.493 . . . . 0.0 110.199 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -63.9 -35.85 82.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.673 -177.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.445 ' H ' HD12 ' A' ' 58' ' ' ILE . 3.5 mp -60.12 -31.54 48.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -178.284 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.458 ' O ' ' HG3' ' A' ' 63' ' ' ARG . . . -63.98 -38.79 92.37 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.039 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -74.71 -36.23 62.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.072 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.26 -41.03 87.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.53 177.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.555 HD12 HG21 ' A' ' 72' ' ' VAL . 6.7 tt -56.51 -42.73 78.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.263 177.453 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 59' ' ' ALA . 48.1 mtp180 -69.89 -16.18 63.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.319 -175.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -95.53 2.4 54.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.189 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.68 88.48 13.81 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.671 0.272 . . . . 0.0 111.037 178.44 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -90.23 15.32 1.9 Allowed 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.823 2.349 . . . . 0.0 111.527 175.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -75.15 -37.93 61.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.584 -175.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.444 ' CE2' ' HB ' ' A' ' 124' ' ' VAL . 0.1 OUTLIER -159.13 177.51 11.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.1 0.476 . . . . 0.0 112.072 -178.301 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -110.5 118.67 36.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.326 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -142.83 150.24 39.66 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.248 0.547 . . . . 0.0 111.662 -174.053 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.416 ' OE1' ' HB ' ' A' ' 34' ' ' VAL . 2.3 mp0 -91.24 123.83 34.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.241 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.555 HG21 HD12 ' A' ' 62' ' ' LEU . 53.4 t -92.2 121.4 42.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.372 179.164 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.98 162.25 21.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.651 -177.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.3 p -145.12 141.2 22.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.516 -177.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.532 ' HB1' ' HB3' ' A' ' 79' ' ' GLN . . . -94.78 130.78 41.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.334 177.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -74.85 86.17 2.23 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -172.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.1 mt 62.57 -75.85 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.945 1.298 . . . . 0.0 112.662 170.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -77.24 -35.89 55.02 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.107 -173.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.532 ' HB3' ' HB1' ' A' ' 75' ' ' ALA . 9.0 tp-100 -58.71 -27.2 64.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.342 -175.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 95.3 p -63.03 -30.95 72.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.408 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.549 ' HA ' ' HB3' ' A' ' 91' ' ' ARG . 34.4 tt0 -60.81 -55.13 36.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -174.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.4 -37.75 85.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.497 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.441 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 70.5 mt -67.07 -51.96 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.753 0.311 . . . . 0.0 110.911 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.496 ' HA3' ' O ' ' A' ' 90' ' ' ARG . . . -66.73 -34.46 87.43 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.728 -177.518 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -66.53 -31.86 72.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.255 0.55 . . . . 0.0 110.28 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.441 ' HB3' ' O ' ' A' ' 83' ' ' ILE . 8.7 tpm_? -53.51 -43.87 68.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.712 175.538 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.408 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 5.9 m-85 -83.81 -79.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.013 0.435 . . . . 0.0 109.861 178.649 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 87' ' ' PHE . 9.1 t30 173.75 20.27 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.451 -175.115 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.1 t -110.29 -20.39 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.153 0.502 . . . . 0.0 110.151 -174.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.496 ' O ' ' HA3' ' A' ' 84' ' ' GLY . 29.8 ttt180 59.22 -147.37 0.49 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.65 -176.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.549 ' HB3' ' HA ' ' A' ' 81' ' ' GLU . 14.8 ptm180 -95.15 34.82 1.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.095 -0.378 . . . . 0.0 111.568 -177.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.427 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 80.4 m-85 -89.96 140.84 27.69 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 175.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.455 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 35.8 Cg_exo -60.91 118.05 4.88 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.801 2.334 . . . . 0.0 112.828 -177.296 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -162.99 159.74 23.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.053 178.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.0 m -126.49 116.12 20.61 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.5 ' HB3' HD11 ' A' ' 103' ' ' LEU . 6.1 mp -92.18 137.1 32.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.979 0.419 . . . . 0.0 110.788 -177.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.599 ' HA ' HG12 ' A' ' 38' ' ' VAL . 60.7 t -96.25 108.35 21.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.783 -176.333 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -103.06 102.93 12.97 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.308 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.469 ' O ' ' HB3' ' A' ' 100' ' ' ASP . 1.2 p -129.73 142.57 50.68 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.469 ' HB3' ' O ' ' A' ' 99' ' ' THR . 33.8 t70 73.39 8.82 5.16 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.989 0.899 . . . . 0.0 109.551 -175.533 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.22 2.05 90.3 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.505 -172.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -113.34 137.31 51.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.801 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.5 HD11 ' HB3' ' A' ' 96' ' ' LEU . 41.4 tp -67.81 107.67 2.7 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 174.023 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -96.24 -30.74 13.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.715 -172.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -173.96 -174.47 40.87 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.182 -1.009 . . . . 0.0 112.463 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.436 ' HA ' ' HA ' ' A' ' 96' ' ' LEU . . . -150.69 137.37 18.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.692 0.282 . . . . 0.0 110.717 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.638 HD11 HD21 ' A' ' 116' ' ' LEU . 4.2 mm? -104.64 143.5 33.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.952 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.1 t -141.0 -61.68 0.48 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 175.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -92.91 136.68 13.28 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.727 175.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.442 ' O ' ' HB2' ' A' ' 111' ' ' HIS . 50.8 mm -67.97 -45.79 83.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.458 0.129 . . . . 0.0 111.121 -177.303 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.741 ' HB3' ' HD2' ' A' ' 112' ' ' PRO . 62.7 m80 69.65 173.33 0.09 OUTLIER Pre-proline 0 N--CA 1.47 0.565 0 O-C-N 123.47 0.481 . . . . 0.0 111.519 177.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.741 ' HD2' ' HB3' ' A' ' 111' ' ' HIS . 56.8 Cg_endo -71.86 10.75 0.79 Allowed 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 122.806 2.337 . . . . 0.0 113.221 176.358 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 78.82 -14.83 0.82 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.641 0.776 . . . . 0.0 111.899 173.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.77 -34.68 73.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.425 0.631 . . . . 0.0 110.767 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.475 ' O ' ' HG ' ' A' ' 119' ' ' LEU . 12.0 mp0 -74.31 -39.74 62.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.952 178.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.638 HD21 HD11 ' A' ' 107' ' ' LEU . 43.6 mt -61.9 -37.1 83.35 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.848 177.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.94 -43.13 99.1 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 177.184 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 42.0 m -66.18 -38.1 87.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.915 177.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 115' ' ' GLU . 95.5 mt -69.26 -49.63 54.45 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -67.88 -20.26 65.11 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.964 0.411 . . . . 0.0 110.933 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.407 ' HD3' HH11 ' A' ' 121' ' ' ARG . 34.7 ttt180 -63.02 -67.5 0.42 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.382 178.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.7 m -78.39 -45.42 22.43 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -176.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 65.4 mt -78.5 -50.46 19.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 -162.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.444 ' HB ' ' CE2' ' A' ' 68' ' ' PHE . 27.0 m -86.18 29.45 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -168.087 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 30.7 t70 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.127 179.932 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 62.2 tp . . . . . 0 CA--C 1.529 0.15 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.531 ' CZ2' ' HA ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -59.37 -42.0 90.6 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.277 0.56 . . . . 0.0 110.577 -178.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.02 -43.29 88.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.533 179.103 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.28 -46.29 84.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.467 -177.061 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.5 pp -66.73 -37.98 85.74 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.113 -176.501 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.515 HD21 ' HZ3' ' A' ' 11' ' ' TRP . 30.7 mt -62.96 -30.04 71.27 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.06 0.457 . . . . 0.0 111.185 177.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.6 m -72.92 -26.3 61.36 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.069 -178.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -97.85 -40.6 8.44 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.967 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.69 -120.97 0.86 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.362 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.1 m95 66.01 -172.78 0.19 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.159 0.504 . . . . 0.0 111.867 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -160.4 119.88 1.6 Allowed Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.909 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.649 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 18.5 Cg_exo -69.14 114.75 3.71 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.382 2.055 . . . . 0.0 110.968 171.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.495 HG13 ' HB1' ' A' ' 73' ' ' ALA . 3.6 m -93.77 159.08 2.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.337 0.589 . . . . 0.0 111.625 -179.242 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.434 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 50.1 mt-10 -137.43 157.57 46.3 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.434 -177.216 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.41 -26.72 61.09 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.141 0.496 . . . . 0.0 110.561 -178.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.1 m -64.67 -27.8 69.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.08 -176.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.3 t -134.75 11.94 3.69 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -174.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.434 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 8.3 p -65.05 -37.21 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.943 0.402 . . . . 0.0 111.201 -177.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.01 -47.61 76.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.517 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -72.89 -35.6 67.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.157 -174.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.469 ' O ' HG22 ' A' ' 34' ' ' VAL . 41.3 t90 -61.62 -47.89 83.39 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.454 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.0 mm -62.99 -38.74 82.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.035 0.445 . . . . 0.0 110.555 178.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -59.69 -36.03 75.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.83 177.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.28 -46.11 16.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.642 -176.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 30' ' ' TRP . 28.8 m -77.01 -43.28 32.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -175.448 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.96 -46.29 2.27 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.976 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -124.73 139.99 53.35 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.765 0.317 . . . . 0.0 110.452 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.46 174.18 33.03 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.026 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.529 HG12 ' HA ' ' A' ' 97' ' ' VAL . 14.8 m -137.32 139.68 43.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.935 0.397 . . . . 0.0 111.311 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.465 HD13 ' CE1' ' A' ' 98' ' ' PHE . 2.2 mp -105.19 117.23 50.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 174.327 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.408 ' HB3' HG23 ' A' ' 74' ' ' VAL . 5.0 tt -94.27 114.99 27.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.021 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.418 HD12 HG22 ' A' ' 39' ' ' ILE . 10.1 mp -81.51 129.82 34.81 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 175.571 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.581 ' OG ' ' HA ' ' A' ' 77' ' ' LEU . 65.6 p . . . . . 0 C--N 1.328 -0.366 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -172.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 121.367 0.603 . . . . 0.0 110.071 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.6 ttt -55.94 -36.48 67.8 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.736 -177.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.476 ' H ' HD12 ' A' ' 58' ' ' ILE . 4.0 mp -65.55 -43.33 94.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.974 0.416 . . . . 0.0 110.643 -177.576 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.55 -32.23 73.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.045 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -74.06 -44.15 55.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.323 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -36.48 83.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.73 -178.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.56 HD22 HG21 ' A' ' 72' ' ' VAL . 56.2 tp -57.64 -36.37 71.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.627 -178.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -57.84 -34.99 70.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.604 -173.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.574 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 15.3 pt-20 -111.24 24.66 12.6 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.821 -177.287 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -84.66 102.54 2.3 Favored Pre-proline 0 CA--C 1.529 0.142 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 174.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.574 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 92.0 Cg_endo -87.23 4.65 6.02 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.641 2.227 . . . . 0.0 113.29 -171.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.15 -57.3 3.8 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.864 0.364 . . . . 0.0 110.444 -176.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.414 ' N ' ' CD1' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -159.65 155.13 25.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.575 -176.271 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -94.14 72.55 3.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.914 178.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.474 ' CZ3' HG13 ' A' ' 97' ' ' VAL . 0.2 OUTLIER -85.09 169.28 14.07 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.188 0.518 . . . . 0.0 111.997 -176.297 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -85.95 128.78 34.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.902 -175.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.56 HG21 HD22 ' A' ' 62' ' ' LEU . 62.4 t -106.95 122.91 61.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 177.177 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.495 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -133.76 158.39 43.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.856 -178.019 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.649 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 12.0 p -138.31 148.16 25.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -177.147 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.01 151.22 22.41 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 177.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.531 ' HA ' ' CZ2' ' A' ' 11' ' ' TRP . 4.7 m-20 -54.54 -71.71 0.07 Allowed 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.389 0.431 . . . . 0.0 110.953 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.581 ' HA ' ' OG ' ' A' ' 42' ' ' SER . 2.5 pt? -168.22 -42.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.687 176.379 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -73.92 -48.72 28.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.667 -176.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.419 ' O ' HG13 ' A' ' 83' ' ' ILE . 0.8 OUTLIER -55.63 -28.03 53.02 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.347 -174.912 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.2 m -50.82 -38.6 49.6 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -74.2 -41.97 60.56 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.167 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.7 -34.53 78.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.307 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.531 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 82.1 mt -69.16 -44.48 80.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.845 0.355 . . . . 0.0 110.327 177.213 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.59 -31.41 80.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.337 176.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -66.99 -39.13 87.08 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 123.338 0.655 . . . . 0.0 110.774 176.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.531 ' HB3' ' O ' ' A' ' 83' ' ' ILE . 14.8 tpt180 -48.72 -44.25 38.1 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.827 176.333 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.602 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 6.0 m-85 -85.6 -79.52 0.24 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.08 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.602 ' HB2' ' O ' ' A' ' 87' ' ' PHE . 63.3 t30 153.87 35.13 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.72 0 O-C-N 124.822 1.326 . . . . 0.0 108.755 -177.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 42.9 t -81.66 99.42 4.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.064 0.459 . . . . 0.0 110.609 -175.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -96.32 -12.36 24.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.89 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -122.41 99.1 6.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.66 -0.246 . . . . 0.0 111.541 -174.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 64.98 98.83 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.366 0 O-C-N 124.087 0.867 . . . . 0.0 112.846 173.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -69.01 150.21 72.51 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.486 2.124 . . . . 0.0 110.628 171.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -159.77 -159.32 0.72 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.735 0.302 . . . . 0.0 110.779 -170.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.45 HG22 ' HB ' ' A' ' 38' ' ' VAL . 7.7 m -98.4 117.65 33.29 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 176.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.408 HD22 ' N ' ' A' ' 96' ' ' LEU . 3.0 mm? -89.65 134.6 34.07 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.997 0.427 . . . . 0.0 110.81 -177.246 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.529 ' HA ' HG12 ' A' ' 38' ' ' VAL . 86.4 t -90.32 114.05 27.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.627 -177.123 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.465 ' CE1' HD13 ' A' ' 39' ' ' ILE . 92.5 m-85 -112.94 124.61 53.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.368 0.604 . . . . 0.0 110.255 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.3 m -146.77 147.24 30.71 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.5 t0 68.23 13.14 9.0 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.476 0.655 . . . . 0.0 110.126 -178.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.06 6.13 89.29 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.476 -174.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -121.12 157.05 30.99 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.876 0.37 . . . . 0.0 111.17 -177.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.451 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 54.2 tp -80.91 116.68 21.01 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 178.203 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.592 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 0.8 OUTLIER -91.0 -50.06 6.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.998 -176.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -170.42 -146.13 5.02 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.817 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -146.6 165.02 30.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.489 0.185 . . . . 0.0 110.55 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.64 88.99 7.06 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.8 p -106.74 13.47 27.96 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.82 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -79.56 63.36 3.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.362 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 17.7 tt -84.72 -14.81 11.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.694 0.759 . . . . 0.0 110.181 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.45 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 11.5 t-160 -94.11 123.52 58.86 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 111' ' ' HIS . 58.2 Cg_exo -52.78 89.85 0.03 OUTLIER 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 123.602 2.868 . . . . 0.0 114.743 -172.207 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.462 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.1 OUTLIER 61.1 -161.37 0.29 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.29 -0.868 . . . . 0.0 112.795 172.718 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 72.12 -63.85 0.41 Allowed 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 123.622 0.769 . . . . 0.0 111.084 -174.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -79.75 -19.3 49.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.905 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 113' ' ' TRP . 19.0 mt -59.12 -33.28 70.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.668 175.104 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 75.6 mt -65.32 -39.43 92.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.015 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.0 m -68.55 -45.03 73.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.65 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 98.0 mt -62.13 -49.94 73.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.004 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 71.4 mtm -62.29 -37.18 84.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.318 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -56.8 -50.75 71.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.708 0.29 . . . . 0.0 111.536 -178.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.0 m -76.69 -34.64 58.19 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.624 HG22 HG13 ' A' ' 124' ' ' VAL . 35.9 mm -83.78 -49.24 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -172.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.624 HG13 HG22 ' A' ' 123' ' ' ILE . 4.6 m -129.57 76.91 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.505 0.669 . . . . 0.0 111.083 -174.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 24.2 t70 . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.744 177.921 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.776 0.322 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.61 ' CZ3' ' HG3' ' A' ' 21' ' ' PRO . 0.5 OUTLIER -62.97 -36.11 82.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.429 179.429 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -61.49 -37.83 85.07 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.346 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.413 ' O ' ' HB ' ' A' ' 16' ' ' THR . 26.2 mmt180 -73.38 -28.39 62.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.356 178.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.493 ' HB3' ' HB2' ' A' ' 19' ' ' TRP . 83.4 mt -61.46 -48.37 81.43 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 175.273 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.17 -30.84 71.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.797 175.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.413 ' HB ' ' O ' ' A' ' 13' ' ' ARG . 67.3 m -58.99 -49.76 76.68 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.409 177.323 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -69.89 -44.94 68.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.821 0.343 . . . . 0.0 110.565 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.79 38.14 0.14 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.432 -0.89 . . . . 0.0 112.63 178.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.493 ' HB2' ' HB3' ' A' ' 14' ' ' LEU . 12.0 m95 -93.07 124.62 37.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.908 0.385 . . . . 0.0 110.239 179.028 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -105.08 119.66 52.42 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.82 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.61 ' HG3' ' CZ3' ' A' ' 11' ' ' TRP . 19.2 Cg_exo -68.25 107.59 1.6 Allowed 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.538 2.159 . . . . 0.0 111.386 175.188 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.502 HG21 HG13 ' A' ' 39' ' ' ILE . 15.3 m -101.1 175.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.586 -176.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.518 ' HB2' HG22 ' A' ' 26' ' ' THR . 42.3 mt-10 -145.52 161.18 40.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.574 -174.019 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.12 -18.35 60.81 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.095 0.474 . . . . 0.0 110.785 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.6 p -81.93 -18.32 44.03 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.579 -178.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.518 HG22 ' HB2' ' A' ' 23' ' ' GLU . 9.0 t -131.08 12.94 5.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.802 0.334 . . . . 0.0 111.246 -176.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.8 -38.88 83.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.044 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -64.4 -49.83 70.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.142 0.496 . . . . 0.0 110.497 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -65.6 -42.12 92.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.619 -176.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.486 ' O ' HG22 ' A' ' 34' ' ' VAL . 53.9 t90 -60.38 -47.37 86.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.4 -177.075 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.48 HD11 ' CD1' ' A' ' 39' ' ' ILE . 33.9 mm -62.02 -40.64 88.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.554 178.003 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.433 ' HD2' ' O ' ' A' ' 32' ' ' LYS . 4.0 tmmm? -58.62 -42.52 88.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.274 178.285 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -74.04 -47.0 39.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.523 -175.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 30' ' ' TRP . 33.3 m -78.45 -37.11 21.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.0 -0.546 . . . . 0.0 112.006 -174.522 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.51 -54.51 4.93 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.501 -0.64 . . . . 0.0 111.501 -177.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -124.57 125.79 44.74 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 120.797 0.332 . . . . 0.0 110.292 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.546 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . -178.7 174.22 46.42 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.028 -0.606 . . . . 0.0 111.938 -179.015 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.553 HG12 ' HA ' ' A' ' 97' ' ' VAL . 13.3 m -133.68 127.21 52.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 O-C-N 122.812 -0.228 . . . . 0.0 111.088 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.659 HG21 HG21 ' A' ' 83' ' ' ILE . 1.9 mp -91.51 116.42 32.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 174.421 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.528 HD11 HD13 ' A' ' 58' ' ' ILE . 3.8 tt -94.7 130.05 41.35 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.699 178.046 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.485 ' HB2' ' H ' ' A' ' 94' ' ' ALA . 7.7 mp -91.2 108.76 20.1 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.551 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.476 ' HA ' ' O ' ' A' ' 76' ' ' ASP . 15.5 m . . . . . 0 CA--C 1.531 0.233 0 C-N-CA 123.31 0.644 . . . . 0.0 112.49 177.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.5 m . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.723 0.297 . . . . 0.0 111.75 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 91.7 mtp -55.52 -49.13 73.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.355 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.705 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 4.4 mp -65.83 -45.94 90.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -179.134 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.41 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -58.29 -38.39 76.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.707 -178.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.478 ' OE2' ' HD2' ' A' ' 63' ' ' ARG . 7.3 tp10 -74.14 -39.62 63.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.519 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -60.84 -41.2 95.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.403 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.705 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 76.3 mt -51.36 -29.65 16.1 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.518 -178.584 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.478 ' HD2' ' OE2' ' A' ' 60' ' ' GLU . 72.7 mtt180 -65.62 -34.01 77.22 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -173.243 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -120.53 -1.06 10.17 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -173.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -59.1 107.61 1.04 Allowed Pre-proline 0 N--CA 1.467 0.417 0 CA-C-N 118.195 0.452 . . . . 0.0 110.904 -175.259 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -89.88 -5.28 5.19 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 123.017 2.478 . . . . 0.0 112.987 -173.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -88.92 -37.7 15.07 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.534 -175.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -136.2 136.42 39.94 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.806 -173.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -103.19 75.41 1.36 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 165.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.546 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . 0.1 OUTLIER -101.46 164.73 11.62 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.853 -1.067 . . . . 0.0 112.115 -172.13 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -91.11 135.38 33.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.507 176.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.51 HG21 HD13 ' A' ' 62' ' ' LEU . 9.6 t -90.08 129.88 40.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.211 -176.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.459 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . . . -125.96 140.91 52.24 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.913 0.387 . . . . 0.0 110.55 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.578 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 5.5 p -145.39 138.99 21.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.884 179.192 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.434 ' HB1' ' HB2' ' A' ' 79' ' ' GLN . . . -107.49 154.29 21.59 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.481 ' CG ' ' H ' ' A' ' 77' ' ' LEU . 20.9 p-10 -64.99 -70.78 0.21 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -172.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.481 ' H ' ' CG ' ' A' ' 76' ' ' ASP . 69.0 mt -159.78 -56.9 0.06 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -176.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -71.29 -40.95 70.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.442 -177.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.493 ' O ' HG13 ' A' ' 83' ' ' ILE . 88.4 mm-40 -67.13 -35.79 80.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.42 178.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.6 m -57.7 -46.36 84.44 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.673 176.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -59.12 -43.05 91.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.491 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.48 -38.89 68.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.164 -177.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.659 HG21 HG21 ' A' ' 39' ' ' ILE . 80.9 mt -61.66 -47.35 93.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.596 0.236 . . . . 0.0 110.958 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -66.35 -31.68 79.68 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.429 -0.891 . . . . 0.0 112.003 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.544 ' HB2' ' HD2' ' A' ' 90' ' ' ARG . 18.9 t70 -68.26 -32.33 72.43 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 122.817 0.447 . . . . 0.0 110.69 -178.423 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -44.51 -45.5 9.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.408 177.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.431 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -101.52 -73.53 0.65 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.678 178.247 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 87' ' ' PHE . 15.8 t-20 170.18 25.12 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.27 0.557 . . . . 0.0 110.001 -173.08 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.0 t -116.6 28.09 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 122.121 0.962 . . . . 0.0 109.041 -175.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.544 ' HD2' ' HB2' ' A' ' 85' ' ' ASP . 53.7 ttt180 -77.3 76.45 3.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.281 177.275 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.423 ' HD2' ' HA ' ' A' ' 91' ' ' ARG . 14.7 tpt180 -149.03 78.16 1.38 Allowed 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.225 -175.07 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.488 ' HB3' ' HD2' ' A' ' 93' ' ' PRO . 86.8 m-85 67.53 172.69 0.09 OUTLIER Pre-proline 0 CA--C 1.539 0.529 0 O-C-N 123.701 0.626 . . . . 0.0 112.006 174.001 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.488 ' HD2' ' HB3' ' A' ' 92' ' ' PHE . 48.4 Cg_exo -59.63 131.48 40.4 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.553 2.168 . . . . 0.0 112.969 177.472 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.485 ' H ' ' HB2' ' A' ' 41' ' ' LEU . . . -159.25 -176.56 5.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.426 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.6 m -131.04 121.99 25.99 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.44 ' HB2' ' HE1' ' A' ' 98' ' ' PHE . 62.7 mt -94.23 135.33 35.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.518 -178.133 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.553 ' HA ' HG12 ' A' ' 38' ' ' VAL . 48.1 t -101.88 117.22 46.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.997 -175.597 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.532 ' CE2' HD13 ' A' ' 103' ' ' LEU . 68.7 m-85 -119.04 115.38 24.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.354 179.373 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 100' ' ' ASP . 49.8 p -129.46 150.15 50.93 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 175.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 99' ' ' THR . 10.4 m-20 68.42 12.02 8.57 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.315 0.384 . . . . 0.0 111.26 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 77.86 13.42 83.43 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.034 -0.603 . . . . 0.0 111.825 -172.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -123.82 144.51 49.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.738 0.304 . . . . 0.0 110.877 -177.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.532 HD13 ' CE2' ' A' ' 98' ' ' PHE . 54.1 tp -78.34 122.3 25.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.132 0.491 . . . . 0.0 110.403 178.076 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -92.88 -42.17 9.65 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.624 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 162.17 -148.92 16.66 Favored Glycine 0 N--CA 1.444 -0.824 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 -178.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -125.82 154.13 43.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.737 0.303 . . . . 0.0 110.778 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 107' ' ' LEU . 0.5 OUTLIER -86.94 92.82 9.15 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 178.068 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 24.7 m -139.53 97.5 3.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 -176.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -106.83 151.07 16.88 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 175.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 34.6 pt -94.99 -10.5 9.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.577 0.703 . . . . 0.0 110.084 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.926 ' HB3' ' HG2' ' A' ' 115' ' ' GLU . 18.2 t-80 -125.24 130.66 24.08 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 175.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -41.76 -49.44 5.43 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.618 2.878 . . . . 0.0 114.316 -173.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.574 ' HD1' ' H ' ' A' ' 114' ' ' ALA . 0.9 OUTLIER -141.3 -164.66 1.81 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 177.169 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.574 ' H ' ' HD1' ' A' ' 113' ' ' TRP . . . 71.23 -66.99 0.27 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.63 0.772 . . . . 0.0 111.335 -177.383 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.926 ' HG2' ' HB3' ' A' ' 111' ' ' HIS . 0.0 OUTLIER -66.58 -22.04 66.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.704 -0.225 . . . . 0.0 110.95 -178.236 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.3 mt -50.19 -34.1 21.53 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.513 176.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.537 ' O ' ' HG3' ' A' ' 121' ' ' ARG . 91.0 mt -70.25 -43.33 70.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.867 0.365 . . . . 0.0 110.215 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.514 ' O ' ' HB2' ' A' ' 121' ' ' ARG . 19.1 m -67.7 -42.95 81.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.728 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 115' ' ' GLU . 3.7 mm? -62.18 -48.37 80.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.52 175.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 46.9 tpp -53.92 -34.96 61.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.252 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.537 ' HG3' ' O ' ' A' ' 117' ' ' LEU . 46.7 mtt180 -53.65 -52.44 59.95 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.113 0.482 . . . . 0.0 111.399 177.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.8 t -66.89 -36.51 82.46 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.169 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 75.3 mt -67.03 -50.28 65.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.858 0.361 . . . . 0.0 111.266 -177.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.0 m -134.44 75.24 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.503 0.668 . . . . 0.0 110.271 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.4 t70 . . . . . 0 N--CA 1.465 0.296 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.159 -178.509 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.9 mt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 121.007 0.432 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 22.4 t-105 -70.98 -32.86 69.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.115 -177.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -60.07 -38.4 82.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.778 176.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -65.01 -29.26 70.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.648 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 77.5 mt -71.56 -45.78 61.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.196 178.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.32 -28.86 70.3 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 176.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.485 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 58.4 m -62.85 -57.15 11.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.788 175.242 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 16' ' ' THR . 19.1 mtt180 -176.2 119.24 0.14 Allowed 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.576 175.249 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 156.08 -97.92 0.17 Allowed Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.903 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.567 ' CE3' HG11 ' A' ' 74' ' ' VAL . 46.8 m0 -90.21 129.34 36.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.656 0.265 . . . . 0.0 110.828 178.019 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -90.73 116.19 65.86 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 173.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.502 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 42.7 Cg_endo -68.93 122.69 9.6 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.6 2.2 . . . . 0.0 112.065 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.7 m -117.33 176.62 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.119 0.485 . . . . 0.0 111.444 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -151.46 170.73 18.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.744 -174.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.96 -22.85 61.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.221 0.534 . . . . 0.0 109.754 173.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 m -63.04 -34.53 77.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.139 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.1 t -122.37 3.25 9.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.837 -174.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.8 p -62.19 -40.2 86.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-O 120.833 0.349 . . . . 0.0 110.922 -176.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -61.4 -53.46 56.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.091 0.472 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.68 -29.69 68.2 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.798 -176.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.645 ' O ' HG22 ' A' ' 34' ' ' VAL . 36.7 t90 -62.25 -56.01 22.76 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.495 HD12 ' HE3' ' A' ' 30' ' ' TRP . 2.0 mp -60.3 -38.41 77.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 CA-C-O 121.036 0.446 . . . . 0.0 110.263 177.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -60.96 -44.87 96.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.363 178.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -81.0 -46.94 14.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.293 -171.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.645 HG22 ' O ' ' A' ' 30' ' ' TRP . 21.8 m -94.88 -35.02 5.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -175.131 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.07 -52.33 2.86 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.976 177.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.443 ' OD1' ' HA ' ' A' ' 99' ' ' THR . 14.5 m-20 -115.47 153.91 30.26 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.802 0.334 . . . . 0.0 111.109 -174.226 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.515 ' HA3' ' HH2' ' A' ' 30' ' ' TRP . . . 148.17 -167.09 28.98 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.828 177.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.504 HG12 ' HA ' ' A' ' 97' ' ' VAL . 15.8 m -140.27 146.7 24.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 117.04 0.42 . . . . 0.0 111.284 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.549 HG21 HG21 ' A' ' 83' ' ' ILE . 2.4 mp -118.16 124.6 73.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 173.29 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tt -96.62 118.02 32.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.715 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.51 ' HA ' ' HB2' ' A' ' 80' ' ' SER . 7.5 mp -86.03 129.08 34.95 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 178.387 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.629 ' HB3' ' HB3' ' A' ' 93' ' ' PRO . 46.6 t . . . . . 0 N--CA 1.463 0.186 0 O-C-N 123.917 0.761 . . . . 0.0 110.48 -175.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.234 0.257 0 CA-C-O 121.337 0.589 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.436 ' HB3' HD12 ' A' ' 58' ' ' ILE . 37.1 ttm 176.59 -59.6 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.756 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.444 ' H ' HD12 ' A' ' 58' ' ' ILE . 3.7 mp -65.96 -33.27 62.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.265 -178.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.474 ' O ' ' HG2' ' A' ' 63' ' ' ARG . . . -61.33 -51.23 69.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.623 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.578 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 2.2 mp0 -60.26 -43.25 96.33 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.694 178.135 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.9 mt -52.24 -51.24 59.49 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.26 0.553 . . . . 0.0 111.172 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 45.5 tp -61.98 -34.73 76.69 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.61 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' A' ' 59' ' ' ALA . 24.1 mmt180 -75.97 -36.95 59.08 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -174.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.578 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 13.2 pt-20 -111.85 24.93 12.12 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -175.233 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -79.0 108.1 7.52 Favored Pre-proline 0 C--N 1.33 -0.243 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 177.264 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 90.3 Cg_endo -94.95 15.38 1.13 Allowed 'Trans proline' 0 N--CA 1.455 -0.765 0 C-N-CA 123.033 2.488 . . . . 0.0 113.306 -174.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.24 -66.49 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.649 -176.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.463 ' HE2' HG11 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -144.94 177.83 8.47 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -175.209 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -109.12 116.25 31.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.267 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -140.04 179.18 6.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.936 0.398 . . . . 0.0 111.611 -175.206 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -91.92 140.43 29.67 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.872 -174.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.9 p -110.87 130.97 63.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.046 176.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -143.41 143.28 31.56 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.091 0.472 . . . . 0.0 111.374 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.567 HG11 ' CE3' ' A' ' 19' ' ' TRP . 25.3 m -129.24 144.69 37.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 177.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.495 ' HB3' ' HB3' ' A' ' 80' ' ' SER . . . -103.76 156.51 17.76 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.851 -173.157 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.555 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 10.1 t70 -56.94 139.18 52.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.829 174.013 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.7 tt -52.56 -43.09 65.0 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.273 0.358 . . . . 0.0 110.995 -176.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -77.86 -53.37 7.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.974 0.416 . . . . 0.0 110.786 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.555 ' HB2' ' HB3' ' A' ' 76' ' ' ASP . 84.1 mm-40 -62.63 -24.04 67.39 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -172.557 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.51 ' HB2' ' HA ' ' A' ' 41' ' ' LEU . 22.6 p -68.87 -20.73 64.27 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -176.328 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -65.04 -43.32 92.75 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.191 0.52 . . . . 0.0 109.883 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.2 -28.31 69.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.186 176.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.585 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 52.5 mt -65.41 -47.71 85.85 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.173 0 CA-C-O 120.904 0.383 . . . . 0.0 110.29 177.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.93 -40.51 99.37 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.387 -0.911 . . . . 0.0 111.594 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -65.09 -35.81 82.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.921 0.391 . . . . 0.0 110.853 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.585 ' HB3' ' O ' ' A' ' 83' ' ' ILE . 8.9 tpt180 -46.34 -48.23 18.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.279 175.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.488 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 9.1 m-85 -82.99 -77.71 0.23 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 177.533 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.488 ' HB2' ' O ' ' A' ' 87' ' ' PHE . 6.2 t30 171.16 24.96 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.218 -177.512 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 46.8 t -117.71 111.24 33.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 121.861 -0.524 . . . . 0.0 110.887 -172.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 90' ' ' ARG . 16.3 ttm180 -137.92 86.07 2.15 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 175.518 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 -165.77 82.09 0.31 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.248 -176.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 69.63 163.9 0.14 Allowed Pre-proline 0 N--CA 1.469 0.513 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.171 175.034 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.629 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 22.8 Cg_exo -66.53 140.0 55.64 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.865 2.377 . . . . 0.0 112.287 177.403 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -157.19 161.31 39.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.421 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.8 m -109.04 120.15 41.68 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 177.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 82.4 mt -92.75 131.79 37.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.724 -177.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.504 ' HA ' HG12 ' A' ' 38' ' ' VAL . 58.6 t -97.53 114.29 34.29 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.805 -178.412 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -108.96 120.39 42.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.152 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.491 ' OG1' ' HG3' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -146.26 143.63 29.32 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.808 177.935 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.0 t70 72.04 10.84 6.1 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.723 0.773 . . . . 0.0 109.903 -178.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.08 4.17 90.33 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.544 -174.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -115.13 150.46 35.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.942 0.401 . . . . 0.0 111.08 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 45.8 tp -79.6 109.25 13.81 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 173.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.491 ' HG3' ' OG1' ' A' ' 99' ' ' THR . 22.0 mmm180 -94.56 -47.24 6.62 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.579 -169.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -155.11 179.47 31.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.259 -0.972 . . . . 0.0 112.241 -177.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -147.68 134.13 19.7 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.746 0.308 . . . . 0.0 110.738 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 107' ' ' LEU . 4.2 mm? -70.61 103.29 2.48 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 177.273 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.7 m -107.97 118.25 36.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.678 -178.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 137.0 168.39 11.37 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.035 178.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 8.4 tp -77.08 -34.0 21.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-O 121.315 0.578 . . . . 0.0 110.503 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -165.05 88.38 1.01 Allowed Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 175.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.402 ' HB2' ' H ' ' A' ' 113' ' ' TRP . 6.8 Cg_exo -72.85 -94.86 0.01 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.658 2.239 . . . . 0.0 113.66 -172.145 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.778 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.2 OUTLIER 57.4 -163.2 0.19 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.887 -169.858 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 64.31 -73.09 0.05 Allowed 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 122.856 0.463 . . . . 0.0 111.635 -177.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.487 ' O ' HD23 ' A' ' 119' ' ' LEU . 12.4 pt-20 -75.42 -6.79 51.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.763 0.316 . . . . 0.0 110.343 178.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.778 HD12 ' HA ' ' A' ' 113' ' ' TRP . 2.1 mt -55.0 -33.62 62.76 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.231 176.317 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 117' ' ' LEU . 4.1 mm? -67.92 -33.27 74.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.023 0.44 . . . . 0.0 110.454 178.624 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.9 m -74.44 -45.26 47.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.1 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 115' ' ' GLU . 3.5 mm? -60.07 -49.76 76.4 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.433 179.034 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 45.8 ttm -54.37 -45.76 72.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -178.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 -61.06 -54.7 41.48 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.238 178.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.9 m -58.81 -40.79 85.14 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.952 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.588 HG22 HG13 ' A' ' 124' ' ' VAL . 68.7 mt -74.01 -49.68 32.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.471 -178.201 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.588 HG13 HG22 ' A' ' 123' ' ' ILE . 3.1 m -140.58 86.14 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-O 121.727 0.775 . . . . 0.0 110.971 -175.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 25.4 t70 . . . . . 0 C--N 1.319 -0.753 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.148 173.042 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.258 0 CA-C-O 120.642 0.258 . . . . 0.0 110.354 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.487 ' CZ2' ' HG ' ' A' ' 15' ' ' LEU . 12.1 t-105 -58.27 -43.29 87.89 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.141 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -54.83 -38.55 67.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.487 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.48 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 2.2 mpt_? -74.74 -36.32 62.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.34 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 70.8 mt -68.26 -31.59 71.17 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.882 0.373 . . . . 0.0 110.928 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.487 ' HG ' ' CZ2' ' A' ' 11' ' ' TRP . 1.4 mt -58.26 -29.45 65.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.648 175.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.2 m -76.97 -50.3 13.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.836 175.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -159.93 109.5 1.81 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.446 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 141.44 113.77 1.03 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.039 -0.6 . . . . 0.0 112.045 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 45.0 m0 66.79 -176.52 0.2 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.949 0.404 . . . . 0.0 110.323 -178.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.415 ' O ' ' HB1' ' A' ' 73' ' ' ALA . 64.2 tt0 -125.88 125.77 24.85 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.469 -177.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.549 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 31.8 Cg_endo -67.58 105.35 1.07 Allowed 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.4 2.067 . . . . 0.0 111.615 174.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.554 HG21 HG13 ' A' ' 39' ' ' ILE . 9.8 m -81.17 151.41 4.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.813 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.454 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 37.7 mt-10 -131.11 160.44 34.69 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.843 -174.015 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.56 -27.58 60.57 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.023 0.439 . . . . 0.0 110.279 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.5 m -61.44 -28.76 69.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.672 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.9 t -136.07 18.64 3.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.833 0.349 . . . . 0.0 111.313 -174.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.454 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 8.8 p -63.7 -41.79 93.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -173.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -77.19 -35.94 55.33 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.902 -177.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.621 ' O ' ' HB2' ' A' ' 33' ' ' ARG . 18.2 t70 -61.86 -47.81 83.37 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 176.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.528 ' O ' HG22 ' A' ' 34' ' ' VAL . 61.2 t90 -54.75 -43.08 72.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.487 -178.447 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.55 HD11 ' CD1' ' A' ' 39' ' ' ILE . 33.9 mm -66.83 -55.02 19.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.965 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.525 ' HE3' ' HA ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -67.94 -20.26 65.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.191 0.52 . . . . 0.0 111.299 -176.806 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.621 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 23.3 ttt180 -70.19 -44.83 67.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.59 -178.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 30' ' ' TRP . 15.8 m -96.3 -32.58 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.692 -178.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.46 -53.48 0.73 Allowed Glycine 0 N--CA 1.453 -0.233 0 N-CA-C 111.671 -0.572 . . . . 0.0 111.671 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -119.95 154.51 34.37 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.686 0.279 . . . . 0.0 110.352 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.37 -166.07 37.6 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.606 -0.807 . . . . 0.0 111.761 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 96' ' ' LEU . 2.1 p -158.01 138.1 4.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.365 0.602 . . . . 0.0 111.577 -177.489 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.554 HG13 HG21 ' A' ' 22' ' ' VAL . 2.1 mp -112.21 119.66 60.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.257 174.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 tt -94.67 114.72 26.7 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.404 HD12 HG22 ' A' ' 39' ' ' ILE . 8.1 mp -82.9 125.34 31.25 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 178.248 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.9 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.287 -175.983 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.0 m . . . . . 0 CA--C 1.522 -0.131 0 CA-C-O 121.382 0.61 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.9 mtt -58.39 -33.76 69.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.391 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.51 ' H ' HD12 ' A' ' 58' ' ' ILE . 4.3 mp -61.71 -35.46 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -177.025 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.17 -38.66 89.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 111.239 -177.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -75.41 -30.11 59.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.015 0.436 . . . . 0.0 110.195 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.64 -37.05 65.19 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.668 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.877 HD21 HG21 ' A' ' 72' ' ' VAL . 11.2 mp -46.44 -41.43 13.83 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.914 -0.585 . . . . 0.0 112.212 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.412 ' HD2' HH11 ' A' ' 63' ' ' ARG . 36.2 mtp85 -83.34 -27.24 29.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.963 0.411 . . . . 0.0 111.206 -173.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.435 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 30.3 mm-40 -94.26 2.7 55.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.534 -175.099 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -95.09 105.91 22.32 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.981 0.42 . . . . 0.0 110.34 178.624 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 10.7 Cg_endo -89.74 16.06 1.82 Allowed 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 123.596 2.864 . . . . 0.0 112.304 -177.158 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -99.79 -46.88 5.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.317 -175.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.674 ' HZ ' HG11 ' A' ' 124' ' ' VAL . 56.3 m-85 -132.42 165.88 23.28 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 121.313 0.578 . . . . 0.0 112.389 -169.258 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -115.31 32.71 5.88 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.497 -1.298 . . . . 0.0 107.497 169.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -59.51 166.5 2.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 114.119 -1.4 . . . . 0.0 113.811 -170.129 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -92.94 117.73 30.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.613 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.877 HG21 HD21 ' A' ' 62' ' ' LEU . 28.0 m -95.5 134.49 32.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.393 -176.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.43 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -144.26 172.7 12.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.397 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.549 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 2.1 p -145.13 144.04 21.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.157 -177.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.23 152.71 20.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.909 -177.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -69.12 163.24 25.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.769 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.9 tt -54.92 -60.32 3.53 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.932 -175.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -70.51 -38.68 74.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.754 0.312 . . . . 0.0 111.172 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -61.89 -24.66 67.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.595 -178.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.3 t -53.75 -39.97 65.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.915 174.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -63.53 -46.63 85.15 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.881 0.372 . . . . 0.0 110.363 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.96 96.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.347 -178.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.474 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 60.6 mt -69.54 -41.93 80.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.382 179.194 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.43 -39.76 97.18 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.843 178.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -63.29 -31.66 72.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.044 0.45 . . . . 0.0 110.923 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.474 ' HB3' ' O ' ' A' ' 83' ' ' ILE . 8.7 tpt180 -46.65 -46.16 19.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.367 176.62 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.501 ' CD1' ' HB ' ' A' ' 89' ' ' VAL . 1.5 p90 -122.43 14.61 10.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.926 -177.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.8 t30 62.9 27.89 16.15 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.501 0.667 . . . . 0.0 111.8 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.501 ' HB ' ' CD1' ' A' ' 87' ' ' PHE . 59.6 t -117.43 94.31 3.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.188 0.518 . . . . 0.0 110.087 177.54 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -132.26 14.17 4.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.17 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 33.6 mtp85 -81.33 101.55 9.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.073 -174.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 71.33 156.31 0.16 Allowed Pre-proline 0 N--CA 1.468 0.448 0 O-C-N 124.301 1.001 . . . . 0.0 110.735 -176.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -66.39 105.35 0.87 Allowed 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.117 1.878 . . . . 0.0 110.923 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -110.36 146.51 35.67 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.313 -173.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.6 m -107.11 115.43 30.16 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 175.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.48 ' O ' HG23 ' A' ' 38' ' ' VAL . 94.1 mt -93.12 135.96 33.83 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -171.205 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 62.0 t -92.06 120.93 42.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.485 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.416 ' CZ ' HD13 ' A' ' 103' ' ' LEU . 95.4 m-85 -121.89 114.48 21.08 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.462 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 72.2 p -138.36 165.42 26.81 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 169.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 65.21 12.24 7.86 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.805 0.336 . . . . 0.0 110.602 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 69.79 16.0 71.87 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.021 -0.609 . . . . 0.0 111.888 -171.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -123.11 170.9 9.73 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.889 0.376 . . . . 0.0 110.792 -177.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.416 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 55.6 tp -91.9 114.53 27.1 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 174.272 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.455 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 0.8 OUTLIER -95.93 -34.29 11.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.359 -173.302 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 171.11 -152.61 18.71 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.671 -178.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.428 ' HB2' HD23 ' A' ' 96' ' ' LEU . . . -150.3 160.06 43.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.749 0.275 . . . . 0.0 110.8 -179.157 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.12 91.51 8.45 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 175.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.5 m -113.25 93.2 4.29 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.481 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -74.3 124.79 8.42 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.005 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 16.3 tt -106.38 -23.46 4.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.576 0.703 . . . . 0.0 109.607 178.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.561 ' HB2' ' CG ' ' A' ' 115' ' ' GLU . 60.2 m80 -127.82 162.3 50.31 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 174.5 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -69.51 85.08 0.59 Allowed 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.134 1.889 . . . . 0.0 111.488 173.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 67.9 -170.74 0.19 Allowed 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.651 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 78.22 -54.19 0.49 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.885 0.874 . . . . 0.0 111.814 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.561 ' CG ' ' HB2' ' A' ' 111' ' ' HIS . 0.0 OUTLIER -76.73 -22.26 54.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.573 0.225 . . . . 0.0 111.311 -178.253 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.9 mt -56.5 -32.82 65.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.339 175.159 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.73 -35.92 82.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.201 0.524 . . . . 0.0 110.074 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.5 m -79.08 -39.0 34.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.138 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.4 -48.69 79.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.522 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 13.8 tmm? -57.34 -48.25 79.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.491 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -24.97 64.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.773 -177.586 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 19.2 t -76.98 -37.23 55.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.792 0.329 . . . . 0.0 111.08 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 83.8 mt -78.98 -49.82 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.844 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.674 HG11 ' HZ ' ' A' ' 68' ' ' PHE . 5.8 m -125.97 73.7 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.772 0.796 . . . . 0.0 110.588 -178.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 24.9 t70 . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.059 178.881 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.607 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 47.4 tp . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 120.412 0.149 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.474 ' HZ3' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -53.72 -35.59 61.35 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 122.894 0.478 . . . . 0.0 111.211 -179.094 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -62.19 -45.45 93.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.143 0.497 . . . . 0.0 110.519 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.473 ' HD3' ' HA ' ' A' ' 13' ' ' ARG . 32.4 mmt180 -73.87 -27.53 61.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.212 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 56.2 mt -63.27 -38.54 91.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.075 0.464 . . . . 0.0 109.868 175.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.474 HD21 ' HZ3' ' A' ' 11' ' ' TRP . 59.8 mt -67.26 -25.34 66.02 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.274 175.512 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 30.6 m -63.93 -43.71 95.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.894 -178.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.97 131.19 6.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.746 0.308 . . . . 0.0 110.914 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.53 -77.85 0.38 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.767 172.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.538 ' CD1' HD22 ' A' ' 14' ' ' LEU . 59.6 m95 -69.31 125.95 28.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.439 0.638 . . . . 0.0 111.52 -171.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.437 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 8.3 tp60 -119.14 130.67 24.71 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.811 177.301 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.671 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 21.0 Cg_exo -65.55 111.73 1.95 Allowed 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.438 2.092 . . . . 0.0 111.791 176.499 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.515 HG13 ' HB1' ' A' ' 73' ' ' ALA . 4.6 m -81.01 -177.83 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.529 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.466 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 45.6 mt-10 -140.34 167.8 21.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.389 -173.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.68 -65.32 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -173.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.6 m -80.01 3.43 20.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.839 0.352 . . . . 0.0 111.052 -174.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.5 m -124.85 8.94 8.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.188 0.518 . . . . 0.0 110.598 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.519 ' O ' HG12 ' A' ' 31' ' ' ILE . 14.7 p -68.64 -41.26 82.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.729 -177.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -77.13 -26.11 52.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.233 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -67.87 -39.6 83.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.057 176.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.465 ' O ' HG22 ' A' ' 34' ' ' VAL . 63.3 t90 -67.17 -43.12 83.01 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.34 176.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' ' 27' ' ' VAL . 40.6 mm -61.15 -44.08 97.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 110.832 178.239 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.468 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -66.89 -23.78 66.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 176.854 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -80.78 -45.59 16.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.218 0.533 . . . . 0.0 111.031 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.495 ' HB ' ' OE1' ' A' ' 71' ' ' GLN . 33.5 m -89.96 -32.64 5.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.175 -175.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.15 -56.59 3.24 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 112.107 -0.397 . . . . 0.0 112.107 178.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -131.52 116.46 17.47 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.02 0.438 . . . . 0.0 110.415 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.31 -167.13 29.44 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.01 -177.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.553 ' HB ' ' CZ3' ' A' ' 70' ' ' TRP . 2.7 p -151.14 141.49 15.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.257 0.551 . . . . 0.0 112.138 -177.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.461 ' CD1' HD11 ' A' ' 31' ' ' ILE . 2.0 mp -110.11 122.99 65.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 174.527 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.497 ' HG ' HD13 ' A' ' 58' ' ' ILE . 1.2 tm? -96.94 119.17 34.92 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 176.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.434 ' HB3' ' OG ' ' A' ' 80' ' ' SER . 6.0 mp -99.68 150.01 22.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.063 -172.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.9 m . . . . . 0 N--CA 1.465 0.304 0 CA-C-N 115.159 -0.928 . . . . 0.0 112.888 173.455 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.5 m . . . . . 0 N--CA 1.449 -0.508 0 CA-C-O 121.793 0.806 . . . . 0.0 111.636 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.546 ' HG2' HD23 ' A' ' 61' ' ' LEU . 48.8 ttm -84.01 -21.01 31.81 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.691 178.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.497 HD13 ' HG ' ' A' ' 40' ' ' LEU . 2.2 mp -63.42 -28.68 45.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 114.955 -1.021 . . . . 0.0 111.053 -177.553 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.7 -49.41 70.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.223 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -75.66 -45.62 36.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.171 0.51 . . . . 0.0 110.087 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.546 HD23 ' HG2' ' A' ' 57' ' ' MET . 1.5 mm? -53.26 -44.09 67.92 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.085 -178.482 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.5 tp -48.92 -50.05 37.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.234 -175.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -88.33 3.18 50.64 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -172.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -121.7 4.78 10.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.249 0.547 . . . . 0.0 110.015 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.445 ' CD2' ' HB2' ' A' ' 67' ' ' GLN . 1.3 t80 -80.2 113.38 38.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.737 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.38 -12.13 27.14 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.834 2.356 . . . . 0.0 112.678 -175.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.445 ' HB2' ' CD2' ' A' ' 65' ' ' PHE . 47.8 mm-40 -74.07 -67.52 0.6 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -167.39 -178.91 4.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.043 0.449 . . . . 0.0 111.621 -173.207 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -109.73 138.49 46.01 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 169.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.553 ' CZ3' ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -141.73 160.45 40.15 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.056 -168.549 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.495 ' OE1' ' HB ' ' A' ' 34' ' ' VAL . 36.5 mt-30 -78.26 113.17 15.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.017 -171.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.8 m -92.23 140.81 15.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.739 -174.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.515 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -143.34 150.67 39.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.708 177.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.671 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 10.8 p -145.18 158.22 13.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -178.687 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.429 ' HB1' ' HB2' ' A' ' 79' ' ' GLN . . . -114.57 170.14 8.53 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 177.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -64.71 -67.21 0.45 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.997 0.427 . . . . 0.0 109.864 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.498 ' HG ' ' N ' ' A' ' 78' ' ' GLU . 2.5 pt? -174.45 -45.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.229 177.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.498 ' N ' ' HG ' ' A' ' 77' ' ' LEU . 36.6 tt0 -64.88 -38.41 90.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.261 -175.309 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.429 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . 21.4 mp0 -61.35 -27.76 68.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.412 -177.529 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.434 ' OG ' ' HB3' ' A' ' 41' ' ' LEU . 30.3 t -52.69 -36.7 57.71 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 123.237 0.336 . . . . 0.0 111.878 -175.63 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -70.87 -54.8 10.16 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.552 -178.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.19 -39.45 92.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.906 -178.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 67.5 mt -60.65 -44.45 97.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-O 121.175 0.512 . . . . 0.0 110.213 177.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.47 ' HA3' ' H ' ' A' ' 90' ' ' ARG . . . -71.32 -28.5 69.76 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.192 177.494 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -71.09 -28.88 64.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.941 0.401 . . . . 0.0 110.599 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -44.45 -36.56 2.96 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.901 175.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.583 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 0.1 OUTLIER -109.03 -75.04 0.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 170.571 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.583 ' HB2' ' O ' ' A' ' 87' ' ' PHE . 34.9 t-20 167.14 75.59 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.393 0.677 . . . . 0.0 109.983 172.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 96.0 t -141.1 -50.44 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.801 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.47 ' H ' ' HA3' ' A' ' 84' ' ' GLY . 99.6 mtt180 69.4 -158.75 0.17 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.12 -179.343 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.35 92.29 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.497 0.665 . . . . 0.0 112.656 -173.419 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -134.79 123.58 16.17 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 114.854 -1.066 . . . . 0.0 108.836 170.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.46 100.89 0.19 Allowed 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.432 2.088 . . . . 0.0 112.339 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -158.87 169.25 24.77 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.802 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 47.9 m -110.81 116.92 32.1 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.493 -178.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.431 ' O ' HG23 ' A' ' 38' ' ' VAL . 85.4 mt -96.85 124.72 40.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.847 0.356 . . . . 0.0 110.28 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.411 ' CG2' HD23 ' A' ' 107' ' ' LEU . 74.9 t -92.42 117.65 36.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.784 -177.399 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.414 ' CZ ' HD13 ' A' ' 103' ' ' LEU . 94.7 m-85 -113.21 105.45 13.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.331 179.24 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.636 ' OG1' ' HG3' ' A' ' 104' ' ' ARG . 62.3 p -133.55 167.12 21.05 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.487 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.434 ' HB2' ' O ' ' A' ' 99' ' ' THR . 11.5 m-20 68.47 9.07 7.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.722 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.22 8.18 81.96 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.537 -175.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -142.7 174.56 10.54 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 117.374 0.587 . . . . 0.0 112.2 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.414 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 58.9 tp -79.63 127.3 32.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.62 174.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.681 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 1.2 mmp_? -105.65 -47.09 3.99 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.385 -176.437 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.73 ' HA3' HD12 ' A' ' 123' ' ' ILE . . . -174.94 -164.96 30.53 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.358 -0.925 . . . . 0.0 112.555 -178.329 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -134.68 147.11 50.04 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.635 0.255 . . . . 0.0 111.055 -177.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.861 HD12 HD23 ' A' ' 116' ' ' LEU . 4.1 mm? -115.9 154.8 29.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.793 178.438 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.4 ' HB2' ' OE1' ' A' ' 115' ' ' GLU . 37.7 m -110.45 -63.72 1.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.698 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.519 ' HA2' ' HG ' ' A' ' 116' ' ' LEU . . . 80.03 -70.81 2.86 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 111.67 -0.572 . . . . 0.0 111.67 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 48.8 mt 67.12 -72.98 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.141 0.576 . . . . 0.0 110.95 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.691 ' HB2' ' HD3' ' A' ' 112' ' ' PRO . 27.3 m80 -152.25 -57.85 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.375 0 C-N-CA 122.576 0.35 . . . . 0.0 111.154 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.691 ' HD3' ' HB2' ' A' ' 111' ' ' HIS . 9.2 Cg_endo -88.87 149.0 5.86 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 122.511 2.14 . . . . 0.0 112.352 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.425 ' CH2' HD13 ' A' ' 61' ' ' LEU . 2.0 t-105 -80.4 35.89 0.35 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.172 0.51 . . . . 0.0 110.273 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.37 -48.69 15.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.472 -174.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.4 ' OE1' ' HB2' ' A' ' 108' ' ' SER . 0.0 OUTLIER -96.41 -22.47 17.14 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.871 -177.351 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.861 HD23 HD12 ' A' ' 107' ' ' LEU . 46.0 mt -53.22 -46.17 68.97 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.768 175.489 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.39 -44.15 95.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.003 0.43 . . . . 0.0 109.944 -179.433 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.2 m -67.33 -51.19 55.45 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.593 -178.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.71 -42.19 91.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 -176.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 54.9 ttp -56.04 -41.72 75.42 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.151 177.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -60.63 -39.62 88.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.016 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.5 t -76.12 -44.52 38.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.224 -178.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.73 HD12 ' HA3' ' A' ' 105' ' ' GLY . 51.3 mm -75.48 -49.2 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.33 -175.299 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.9 m -136.76 77.35 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.184 0.516 . . . . 0.0 110.386 -178.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 28.7 t70 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.366 178.918 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.5 tp . . . . . 0 CA--C 1.529 0.155 0 CA-C-O 120.766 0.317 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 27.1 t-105 -66.89 -43.2 84.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.924 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -59.87 -36.29 76.59 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.275 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.405 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 22.3 mmt180 -64.21 -28.78 69.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.983 -178.039 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.1 mt -68.16 -42.67 79.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.869 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.683 ' HA ' ' O ' ' A' ' 18' ' ' GLY . 11.3 mp -60.94 -26.13 67.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.718 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.3 m -62.7 -37.94 88.46 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 120.875 0.369 . . . . 0.0 110.264 178.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -80.06 -38.62 31.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.276 0.56 . . . . 0.0 110.134 174.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.683 ' O ' ' HA ' ' A' ' 15' ' ' LEU . . . 158.04 -108.09 0.35 Allowed Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 -178.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.432 ' HE3' ' HB ' ' A' ' 74' ' ' VAL . 25.2 m95 60.14 107.71 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.85 0.834 . . . . 0.0 112.417 173.6 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -94.32 113.78 61.68 Favored Pre-proline 0 C--N 1.31 -1.115 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.879 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.575 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 9.7 Cg_exo -68.58 109.88 2.17 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 122.2 1.934 . . . . 0.0 111.159 177.007 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.482 HG23 ' HB2' ' A' ' 75' ' ' ALA . 5.8 m -92.21 -177.96 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.653 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -141.81 167.66 21.6 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.389 -172.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.49 -38.08 41.72 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.203 176.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.8 m -80.2 -9.74 59.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.232 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 m -122.99 1.83 9.29 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -174.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.6 p -68.02 -37.56 78.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 O-C-N 121.994 -0.441 . . . . 0.0 111.308 -177.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -67.42 -48.85 66.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.399 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -71.57 -32.45 68.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.521 -176.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.517 ' O ' HG22 ' A' ' 34' ' ' VAL . 36.0 t90 -64.43 -49.9 69.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.59 0.233 . . . . 0.0 110.451 -179.527 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.43 HD11 ' CD1' ' A' ' 39' ' ' ILE . 45.9 mm -62.44 -38.68 81.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.185 0.517 . . . . 0.0 110.112 177.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -58.06 -38.76 76.94 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.026 176.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -80.93 -47.17 14.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.101 -171.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 30' ' ' TRP . 30.2 m -95.42 -46.6 13.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -175.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.22 -56.02 2.1 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 121.064 -0.589 . . . . 0.0 112.148 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -103.05 129.77 49.96 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.701 0.286 . . . . 0.0 110.771 -176.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.37 179.94 38.82 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.188 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.547 HG12 ' HA ' ' A' ' 97' ' ' VAL . 10.3 m -136.07 125.9 40.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.728 0.299 . . . . 0.0 111.491 -177.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.433 HG22 HD12 ' A' ' 41' ' ' LEU . 2.3 mp -98.15 121.05 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.423 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.403 ' HG ' ' OG1' ' A' ' 95' ' ' THR . 2.0 tt -89.98 113.22 24.84 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 175.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.433 HD12 HG22 ' A' ' 39' ' ' ILE . 7.9 mp -86.39 125.76 33.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.988 -177.523 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.579 ' HB3' ' HB3' ' A' ' 93' ' ' PRO . 35.3 t . . . . . 0 CA--C 1.53 0.205 0 O-C-N 124.067 0.854 . . . . 0.0 111.806 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 CA--C 1.529 0.142 0 CA-C-O 121.467 0.651 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.468 ' O ' ' HB2' ' A' ' 61' ' ' LEU . 60.5 mmm -56.78 -20.2 21.08 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.085 -0.961 . . . . 0.0 113.157 -177.229 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.532 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 5.2 mp -68.18 -21.61 26.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-O 120.995 0.426 . . . . 0.0 110.525 -176.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.28 -57.08 11.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.823 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -70.66 -30.29 66.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.717 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.532 ' HB2' ' HA ' ' A' ' 58' ' ' ILE . 0.6 OUTLIER -52.96 -33.13 49.63 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.515 -177.818 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 tt -46.43 -53.74 10.48 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.652 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -90.1 -3.04 58.15 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -178.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -74.86 -20.66 59.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.988 0.423 . . . . 0.0 109.894 174.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.517 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 4.9 t80 -74.54 116.97 58.35 Favored Pre-proline 0 N--CA 1.451 -0.396 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.517 ' HD3' ' HA ' ' A' ' 65' ' ' PHE . 2.8 Cg_exo -75.79 16.06 0.82 Allowed 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 123.55 2.834 . . . . 0.0 113.445 -174.141 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -109.9 -69.53 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -153.7 167.34 29.91 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -172.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -86.67 109.7 19.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.582 174.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -105.9 158.31 16.86 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.032 0.444 . . . . 0.0 111.267 178.634 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -76.33 110.0 10.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.396 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.9 t -76.12 118.98 23.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.039 175.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.478 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -118.33 143.58 46.5 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.93 -178.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.575 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 3.2 p -126.76 131.75 70.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.802 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.482 ' HB2' HG23 ' A' ' 22' ' ' VAL . . . -112.67 144.65 41.81 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.911 0.386 . . . . 0.0 111.26 -177.534 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.494 ' HB3' ' OE1' ' A' ' 79' ' ' GLN . 14.1 t70 -67.16 154.1 42.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.038 175.323 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.543 HD12 ' N ' ' A' ' 78' ' ' GLU . 2.6 pp -59.76 -31.01 69.26 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -175.093 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.543 ' N ' HD12 ' A' ' 77' ' ' LEU . 29.9 tt0 -73.47 -45.71 52.55 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.214 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.494 ' OE1' ' HB3' ' A' ' 76' ' ' ASP . 1.5 mp0 -64.33 -35.09 79.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.727 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.8 m -61.99 -29.01 69.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.922 -178.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -65.74 -44.25 86.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.034 0.445 . . . . 0.0 110.234 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.14 -41.84 66.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.721 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 84.7 mt -59.37 -43.4 90.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.184 0.516 . . . . 0.0 110.135 176.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.568 ' HA2' HG12 ' A' ' 89' ' ' VAL . . . -67.4 -28.39 73.64 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.66 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -77.03 -31.61 56.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.818 0.342 . . . . 0.0 110.906 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -44.92 -45.6 10.48 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.493 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -124.03 11.41 8.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.196 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 66.7 t30 56.21 68.18 0.9 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.788 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.568 HG12 ' HA2' ' A' ' 84' ' ' GLY . 6.5 p -110.32 12.26 8.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.138 178.412 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -55.18 101.41 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.445 -177.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -149.22 -69.93 0.21 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.525 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -149.99 154.02 36.41 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.28 177.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.579 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 32.0 Cg_exo -59.19 116.99 3.66 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.582 2.188 . . . . 0.0 111.833 177.523 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -140.71 171.79 13.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.554 -176.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.494 HG22 ' HB ' ' A' ' 38' ' ' VAL . 10.1 m -108.05 120.71 43.1 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 176.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.415 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 94.3 mt -91.57 134.01 35.04 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 120.704 -0.399 . . . . 0.0 111.108 -174.217 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.547 ' HA ' HG12 ' A' ' 38' ' ' VAL . 67.1 t -98.64 114.2 35.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.919 -176.368 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.427 ' CE1' HD13 ' A' ' 39' ' ' ILE . 44.3 m-85 -109.36 120.98 44.16 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.549 179.423 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.2 p -124.31 127.16 47.21 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.256 178.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.3 t70 68.09 10.88 8.1 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.553 0.692 . . . . 0.0 110.31 -177.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 93.61 -5.97 73.96 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.441 -174.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -100.3 133.85 44.11 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 120.914 0.388 . . . . 0.0 110.447 -178.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 61.2 tp -86.51 108.61 18.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.874 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.9 mtp180 -94.24 -35.0 12.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.564 -177.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -175.83 -154.57 11.63 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 119.999 -1.096 . . . . 0.0 113.105 -177.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -133.46 161.34 34.84 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.908 0.385 . . . . 0.0 111.111 -176.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 107' ' ' LEU . 0.2 OUTLIER -98.17 74.86 2.26 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.459 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 45.7 m -155.67 137.23 14.15 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.057 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -157.41 -159.1 9.31 Favored Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.81 -0.709 . . . . 0.0 111.781 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.515 ' O ' ' HB2' ' A' ' 111' ' ' HIS . 41.2 mm -101.27 144.49 12.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.515 ' HB2' ' O ' ' A' ' 110' ' ' ILE . 81.2 m-70 79.13 151.15 0.12 Allowed Pre-proline 0 N--CA 1.47 0.558 0 O-C-N 123.988 0.805 . . . . 0.0 110.538 -174.317 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 111' ' ' HIS . 5.3 Cg_exo -76.07 4.86 4.92 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 123.026 2.484 . . . . 0.0 113.092 -178.086 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 29.6 t-105 -176.15 176.7 1.68 Allowed 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 177.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 74.91 18.96 2.51 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.994 0.809 . . . . 0.0 110.512 -178.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.5 -39.46 9.14 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.011 179.694 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 70.1 mt -50.73 -44.78 58.33 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.041 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -56.93 -42.87 80.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.068 0.461 . . . . 0.0 111.24 -176.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.3 m -77.53 -37.39 51.01 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.984 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 91.2 mt -71.56 -43.37 66.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.575 -177.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 26.2 ptm -61.49 -42.76 99.29 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.884 -176.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.456 ' HA ' ' HB2' ' A' ' 125' ' ' ASP . 8.1 mmm180 -52.09 -44.34 64.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.016 0.436 . . . . 0.0 111.38 -178.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 42.4 t -76.54 -53.71 7.69 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.984 178.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.601 HG22 HG23 ' A' ' 124' ' ' VAL . 61.8 mt -88.62 -52.0 11.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -167.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.601 HG23 HG22 ' A' ' 123' ' ' ILE . 21.3 t -139.37 77.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.166 0.508 . . . . 0.0 110.427 -175.457 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.456 ' HB2' ' HA ' ' A' ' 121' ' ' ARG . 36.1 t70 . . . . . 0 C--N 1.321 -0.668 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.708 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.57 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 47.4 tp . . . . . 0 CA--C 1.531 0.23 0 N-CA-C 111.422 0.156 . . . . 0.0 111.422 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.4 ' CH2' HG13 ' A' ' 74' ' ' VAL . 0.7 OUTLIER -55.14 -39.76 69.81 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.961 0.41 . . . . 0.0 110.613 178.784 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -63.21 -40.56 97.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.805 0.336 . . . . 0.0 110.271 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -69.62 -41.45 75.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.039 177.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 86.6 mt -60.93 -44.83 96.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.571 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.98 -27.05 68.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.809 178.261 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 54.7 m -75.26 -27.08 59.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -140.66 97.18 3.15 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.601 -0.439 . . . . 0.0 112.038 -173.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.9 -63.77 1.49 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.775 -0.726 . . . . 0.0 114.228 169.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.402 ' CG ' ' HB3' ' A' ' 14' ' ' LEU . 32.2 m95 -60.53 125.0 22.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.323 0.583 . . . . 0.0 111.964 -171.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.412 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 78.4 mt-30 -102.01 125.98 35.13 Favored Pre-proline 0 N--CA 1.449 -0.505 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.203 -177.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.758 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 10.8 Cg_exo -70.69 119.52 6.4 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.635 2.223 . . . . 0.0 111.339 172.168 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.423 HG21 HG13 ' A' ' 39' ' ' ILE . 10.9 m -105.51 166.28 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.43 0.633 . . . . 0.0 112.001 -177.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.463 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 41.9 mt-10 -139.94 162.1 36.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.525 -174.67 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.43 ' HB2' ' HA ' ' A' ' 83' ' ' ILE . . . -70.13 -18.32 63.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.049 0.452 . . . . 0.0 111.384 -178.061 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.8 p -84.12 -61.53 1.79 Allowed 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.281 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.0 t -71.11 -18.92 62.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.994 -175.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.463 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 8.2 p -62.6 -26.86 41.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-O 120.722 0.296 . . . . 0.0 110.955 -177.6 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.414 ' HB2' ' NH2' ' A' ' 86' ' ' ARG . 10.3 t70 -61.85 -49.57 75.71 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.205 0.526 . . . . 0.0 110.045 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.519 ' O ' ' HB2' ' A' ' 33' ' ' ARG . 28.9 t70 -75.54 -36.7 60.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.192 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.441 ' O ' HG22 ' A' ' 34' ' ' VAL . 64.8 t90 -59.33 -51.39 70.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.13 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.7 mm -60.49 -46.32 95.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.955 0.407 . . . . 0.0 110.809 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.448 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -68.24 -21.65 64.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.804 -179.251 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.519 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -77.45 -36.85 52.58 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.255 -177.045 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 30' ' ' TRP . 6.3 m -105.51 -46.98 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.897 -177.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.3 -36.11 4.6 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.426 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.451 ' OD2' ' HA ' ' A' ' 70' ' ' TRP . 10.1 p-10 -126.23 156.96 39.45 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 122.396 0.278 . . . . 0.0 110.289 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.59 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . 149.39 -178.61 26.8 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.913 176.27 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 97' ' ' VAL . 12.1 m -138.19 133.96 44.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.922 0.392 . . . . 0.0 111.368 -179.329 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.477 HD13 ' CE1' ' A' ' 98' ' ' PHE . 1.9 mp -106.6 117.01 51.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 174.744 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.519 ' HB3' HG23 ' A' ' 74' ' ' VAL . 1.8 tt -93.48 123.91 37.11 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 93' ' ' PRO . 9.2 mp -91.03 123.67 34.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.707 -0.224 . . . . 0.0 110.467 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.9 t . . . . . 0 CA--C 1.532 0.28 0 O-C-N 123.917 0.761 . . . . 0.0 110.646 -179.543 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.9 t . . . . . 0 CA--C 1.532 0.262 0 CA-C-O 121.616 0.722 . . . . 0.0 109.866 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -58.39 -37.37 75.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.382 -0.827 . . . . 0.0 111.865 -173.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.569 ' H ' HD12 ' A' ' 58' ' ' ILE . 4.3 mp -63.71 -31.99 55.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.419 -171.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.35 -52.52 63.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.338 . . . . 0.0 111.237 -177.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -75.48 -29.64 59.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.987 0.422 . . . . 0.0 110.09 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 28.1 tp -52.56 -44.11 65.64 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.37 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 64.6 tp -50.04 -40.04 43.76 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.684 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -86.94 -28.47 22.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.493 -177.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -76.87 -38.04 54.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.007 -178.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.02 110.21 2.79 Favored Pre-proline 0 CA--C 1.529 0.147 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.982 -175.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -86.3 0.26 8.13 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.724 2.283 . . . . 0.0 112.721 -175.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -78.87 -48.5 14.55 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.799 -177.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.456 ' HE1' ' CE3' ' A' ' 70' ' ' TRP . 0.1 OUTLIER -172.52 162.58 5.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.347 -179.444 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -92.45 83.89 5.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.534 174.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.59 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . 0.1 OUTLIER -76.53 159.19 30.57 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.294 0.568 . . . . 0.0 112.108 -177.186 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -77.96 113.49 15.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.261 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 63.8 t -90.62 122.43 41.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.603 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.405 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -138.59 157.97 45.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.723 178.698 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.758 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 4.1 p -145.14 145.48 20.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -177.221 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.406 ' HB1' ' HB2' ' A' ' 79' ' ' GLN . . . -88.68 147.13 24.67 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.712 178.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -53.78 -74.62 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.299 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.2 tp -168.73 -62.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.614 176.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -61.36 -33.48 73.71 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.022 0.439 . . . . 0.0 110.205 175.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.493 ' O ' HG13 ' A' ' 83' ' ' ILE . 91.6 mt-30 -59.69 -37.12 77.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.648 178.108 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.9 m -61.89 -31.25 71.52 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.337 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.769 ' HG3' ' HD3' ' A' ' 91' ' ' ARG . 38.5 tt0 -63.9 -41.52 97.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.163 -179.498 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.23 -36.85 66.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.756 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 79' ' ' GLN . 68.7 mt -63.23 -42.58 96.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.298 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.15 -36.53 92.51 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.513 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -72.15 -31.79 66.3 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.182 0.515 . . . . 0.0 110.691 -178.281 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.414 ' NH2' ' HB2' ' A' ' 28' ' ' ASP . 9.6 tpt85 -49.19 -40.96 35.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.975 -1.012 . . . . 0.0 111.524 -177.675 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.424 ' HD1' HG23 ' A' ' 89' ' ' VAL . 2.9 p90 -124.29 17.41 9.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.626 -179.059 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 47.2 t30 60.41 76.75 0.35 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.498 176.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.424 HG23 ' HD1' ' A' ' 87' ' ' PHE . 86.2 t -143.04 143.31 25.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 172.736 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -67.24 157.34 34.07 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.739 0.304 . . . . 0.0 110.462 178.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.769 ' HD3' ' HG3' ' A' ' 81' ' ' GLU . 18.4 mtm180 -75.19 90.76 2.57 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.171 0.51 . . . . 0.0 111.451 -172.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -122.71 146.02 46.81 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.098 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.416 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 55.3 Cg_endo -72.17 106.8 2.11 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.308 2.006 . . . . 0.0 111.721 176.11 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.452 ' HA ' ' HA ' ' A' ' 108' ' ' SER . . . -155.19 156.14 35.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.492 -178.086 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.443 HG22 ' HB ' ' A' ' 38' ' ' VAL . 8.2 m -101.88 125.71 48.62 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.887 177.554 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.564 HD23 ' HB2' ' A' ' 106' ' ' ALA . 39.7 mt -91.74 131.16 37.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.456 -179.287 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.495 ' HA ' HG12 ' A' ' 38' ' ' VAL . 95.0 t -93.85 117.91 38.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.66 179.336 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.54 ' HE1' ' HB2' ' A' ' 96' ' ' LEU . 87.0 m-85 -115.51 122.84 46.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.794 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.1 p -137.38 155.63 49.15 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 172.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 67.31 10.8 8.0 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.969 0.414 . . . . 0.0 110.959 177.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 76.94 15.01 82.03 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.909 -0.662 . . . . 0.0 111.757 -173.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -128.65 164.08 23.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.954 0.407 . . . . 0.0 110.808 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.438 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 61.0 tp -90.75 125.4 35.68 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.288 -179.336 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.44 ' HB3' HG23 ' A' ' 123' ' ' ILE . 33.0 mmt180 -92.02 -40.47 11.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.01 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 169.44 -173.01 43.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.211 -0.995 . . . . 0.0 112.644 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.564 ' HB2' HD23 ' A' ' 96' ' ' LEU . . . -128.91 138.58 52.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.881 0.372 . . . . 0.0 111.475 -178.415 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -122.89 124.63 43.68 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 174.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.452 ' HA ' ' HA ' ' A' ' 94' ' ' ALA . 10.6 p -77.39 -78.91 0.12 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.791 0.329 . . . . 0.0 111.755 -177.274 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -154.97 73.07 0.25 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.88 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 9.4 tp -67.92 140.26 19.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.042 0.449 . . . . 0.0 110.765 -177.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.618 ' HB2' ' HD3' ' A' ' 112' ' ' PRO . 33.3 m80 -110.44 -51.15 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.448 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.618 ' HD3' ' HB2' ' A' ' 111' ' ' HIS . 34.0 Cg_exo -61.91 152.96 71.67 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 122.067 1.845 . . . . 0.0 112.115 175.548 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -122.47 -169.39 1.89 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 70.91 -54.11 0.66 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.24 0.616 . . . . 0.0 111.494 -177.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.41 -24.51 67.44 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.065 0.46 . . . . 0.0 110.74 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.0 mt -56.28 -31.76 63.93 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.509 177.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.31 -39.4 86.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.644 0.259 . . . . 0.0 110.837 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 32.3 m -68.46 -44.08 75.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.668 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 91.3 mt -68.94 -43.96 74.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.771 -179.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 47.4 ttp -61.5 -33.93 74.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.808 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.448 ' O ' ' HB2' ' A' ' 125' ' ' ASP . 7.4 tpt180 -59.68 -43.82 93.86 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -177.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 40.6 m -68.42 -29.86 68.62 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-O 120.997 0.427 . . . . 0.0 111.207 178.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.44 HG23 ' HB3' ' A' ' 104' ' ' ARG . 75.2 mt -74.49 -49.82 29.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.999 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 4.4 m -132.8 74.14 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.568 0.699 . . . . 0.0 110.893 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 121' ' ' ARG . 30.2 t70 . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.636 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.664 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 4.4 mm? . . . . . 0 N--CA 1.456 -0.166 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -57.57 -44.56 85.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.527 175.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -70.02 -35.28 74.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.452 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -63.29 -36.56 84.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.731 177.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 95.1 mt -60.32 -42.95 96.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.596 178.039 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 18' ' ' GLY . 96.7 mt -60.07 -34.51 73.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.185 -179.183 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.5 m -66.15 -25.86 67.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.919 178.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -108.41 22.29 16.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.484 0.659 . . . . 0.0 110.122 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 15' ' ' LEU . . . 106.59 -126.96 8.68 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.165 178.448 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.3 m95 67.47 129.61 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.594 0.712 . . . . 0.0 111.887 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -111.54 113.63 53.24 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.445 178.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.634 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 24.8 Cg_exo -64.64 104.86 0.58 Allowed 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 122.268 1.979 . . . . 0.0 110.777 171.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.525 HG21 HG13 ' A' ' 39' ' ' ILE . 2.6 m -82.01 170.52 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -178.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.629 ' HG2' HE22 ' A' ' 79' ' ' GLN . 38.1 mt-10 -138.0 159.62 41.54 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.821 -174.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.52 -6.97 59.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.277 0.56 . . . . 0.0 109.958 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 m -77.76 -43.22 31.46 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.365 -177.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.3 p -116.84 8.36 13.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.843 -174.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.493 ' O ' HG12 ' A' ' 31' ' ' ILE . 7.4 p -54.38 -42.92 60.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.608 -177.121 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.94 -47.61 85.08 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.764 -178.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -75.11 -38.38 61.17 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 -177.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.568 ' O ' HG22 ' A' ' 34' ' ' VAL . 72.0 t90 -59.1 -49.45 77.81 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -178.635 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 27' ' ' VAL . 43.6 mm -56.81 -45.69 83.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 121.044 0.45 . . . . 0.0 110.815 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.434 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -68.16 -32.7 73.15 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.085 -179.62 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -44.43 37.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.019 -176.072 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.568 HG22 ' O ' ' A' ' 30' ' ' TRP . 34.6 m -84.71 -37.02 12.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.328 -177.439 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.7 -48.41 2.3 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.28 177.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -125.62 167.37 15.18 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.635 0.255 . . . . 0.0 110.499 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.85 177.03 15.75 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.318 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.5 m -135.81 127.4 44.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.954 0.407 . . . . 0.0 111.274 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.525 HG13 HG21 ' A' ' 22' ' ' VAL . 2.1 mp -96.1 111.76 26.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 172.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.53 HD12 HG23 ' A' ' 74' ' ' VAL . 2.8 tm? -89.59 109.69 20.62 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 177.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.3 mp -75.46 148.42 39.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.701 176.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.42 ' OG ' ' HA ' ' A' ' 77' ' ' LEU . 4.0 m . . . . . 0 C--N 1.328 -0.335 0 O-C-N 123.303 0.377 . . . . 0.0 110.081 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.6 t . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.538 ' O ' ' HB2' ' A' ' 61' ' ' LEU . 24.7 mmt -106.08 -27.58 11.03 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -176.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.449 ' N ' HD12 ' A' ' 58' ' ' ILE . 3.2 mp -80.88 -61.77 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -168.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.75 -34.2 71.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.556 0.693 . . . . 0.0 110.427 -176.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -66.64 -30.86 71.23 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.369 179.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.538 ' HB2' ' O ' ' A' ' 57' ' ' MET . 36.6 tp -61.75 -53.07 60.93 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 121.452 0.644 . . . . 0.0 109.845 174.241 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.06 -37.27 76.63 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.844 -1.071 . . . . 0.0 111.086 -178.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -52.84 -31.38 38.84 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.636 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 10.0 pt-20 -123.25 26.89 7.78 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.896 -179.414 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.71 101.68 7.42 Favored Pre-proline 0 C--N 1.331 -0.197 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.313 172.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.636 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 9.8 Cg_endo -90.14 11.28 2.8 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.408 2.739 . . . . 0.0 110.932 177.172 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.85 -53.58 8.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.184 -179.346 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -173.45 177.78 2.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.195 -178.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -113.92 141.05 47.86 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 176.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.422 ' CD1' ' N ' ' A' ' 70' ' ' TRP . 0.1 OUTLIER -151.42 165.74 33.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.998 0.428 . . . . 0.0 111.771 -173.351 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -73.49 114.54 11.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.329 -174.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.9 t -89.21 116.52 30.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.999 175.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.506 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -127.58 159.39 34.78 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.174 -176.475 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.634 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 12.7 p -144.78 149.6 16.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.181 -178.762 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.71 157.14 16.91 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 176.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.25 -83.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.53 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.42 ' HA ' ' OG ' ' A' ' 42' ' ' SER . 55.6 tp -160.76 -49.24 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.182 0.515 . . . . 0.0 109.691 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -65.67 -47.37 75.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.503 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.629 HE22 ' HG2' ' A' ' 23' ' ' GLU . 36.2 mt-30 -69.19 -22.48 63.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.37 -173.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.3 t -50.07 -40.82 46.51 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.813 0.339 . . . . 0.0 110.855 176.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -69.9 -43.47 71.68 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.6 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.04 -42.39 84.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.604 -177.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.507 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 74.9 mt -66.04 -40.51 87.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 110.269 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.0 -44.09 97.9 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.475 -0.869 . . . . 0.0 111.772 177.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -68.31 -30.39 69.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 0.0 110.876 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.507 ' HB3' ' O ' ' A' ' 83' ' ' ILE . 2.8 tpm_? -45.98 -40.29 10.21 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.859 175.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -96.7 -78.69 0.46 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 175.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 177.06 21.49 0.0 OUTLIER 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.154 176.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 33.9 t -103.1 96.17 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -175.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -127.85 32.94 4.87 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.428 -174.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -113.05 -79.33 0.58 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.681 178.034 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.487 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 97.5 m-85 -124.22 138.18 30.39 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.101 -179.254 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' A' ' 92' ' ' PHE . 7.8 Cg_exo -74.79 153.12 42.67 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 123.232 2.621 . . . . 0.0 112.406 -178.422 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -158.04 -172.19 3.81 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.063 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.538 ' HB ' ' HB3' ' A' ' 107' ' ' LEU . 7.2 m -97.6 117.17 31.28 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.146 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 93.3 mt -92.17 128.92 38.2 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.926 0.393 . . . . 0.0 110.842 -176.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.411 HG13 ' HZ3' ' A' ' 70' ' ' TRP . 67.2 t -94.18 114.66 31.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.813 -176.395 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.439 ' CE1' HD13 ' A' ' 39' ' ' ILE . 95.5 m-85 -112.44 126.62 55.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.32 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.519 ' OG1' ' HG3' ' A' ' 104' ' ' ARG . 0.7 OUTLIER -146.18 142.93 28.92 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.676 176.486 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 66.89 12.75 9.11 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.622 0.576 . . . . 0.0 110.966 -178.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.89 5.73 83.32 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.531 -177.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -121.09 152.37 38.75 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 122.472 -0.428 . . . . 0.0 111.075 178.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.408 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 56.0 tp -77.92 113.15 15.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.416 175.33 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.519 ' HG3' ' OG1' ' A' ' 99' ' ' THR . 16.8 mmt85 -96.98 -16.24 20.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.976 -173.508 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 163.77 -172.41 39.65 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 119.875 -1.155 . . . . 0.0 112.886 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -127.55 142.26 51.42 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.538 ' HB3' ' HB ' ' A' ' 95' ' ' THR . 1.8 tm? -89.64 96.43 10.69 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.725 -177.459 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 65.6 m -81.34 86.95 6.18 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 174.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -78.9 99.18 1.64 Allowed Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.811 -176.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.479 ' O ' ' HB2' ' A' ' 111' ' ' HIS . 46.8 mm -70.27 -74.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 175.119 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.557 ' HB3' ' HD3' ' A' ' 112' ' ' PRO . 1.6 t60 173.93 -53.01 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.339 0 O-C-N 123.665 0.603 . . . . 0.0 110.422 173.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.557 ' HD3' ' HB3' ' A' ' 111' ' ' HIS . 26.8 Cg_exo -64.15 146.67 90.92 Favored 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 122.19 1.927 . . . . 0.0 111.968 176.065 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.487 ' CH2' HD12 ' A' ' 61' ' ' LEU . 3.6 t-105 -95.64 -140.16 0.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.011 -177.418 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 69.37 -70.87 0.13 Allowed 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.52 0.728 . . . . 0.0 111.909 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -65.96 -26.38 67.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 -177.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 7.3 mt -56.37 -37.16 69.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.983 175.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -64.8 -44.83 88.66 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.3 m -62.46 -51.22 68.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.43 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.07 -49.88 70.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.711 -178.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.502 ' HA ' ' CE ' ' A' ' 120' ' ' MET . 20.8 mmt -64.82 -29.42 70.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.328 -178.508 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -55.43 -34.47 64.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.98 0.419 . . . . 0.0 111.276 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.0 m -71.4 -30.31 65.96 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.436 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 49.6 mm -91.07 -49.05 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.634 -175.181 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.2 m -112.03 68.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.804 0.811 . . . . 0.0 110.781 -177.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.3 t70 . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.589 175.34 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 11' ' ' TRP . 4.1 pp . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.965 0.412 . . . . 0.0 111.386 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.436 ' N ' HD12 ' A' ' 10' ' ' LEU . 41.1 t-105 -64.51 -31.41 72.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.002 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -64.24 -35.77 81.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.371 177.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -67.66 -39.74 84.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.61 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.3 mt -66.38 -40.61 89.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.359 178.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -67.45 -26.61 66.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.606 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.2 m -63.95 -48.92 74.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.389 177.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -166.82 108.01 0.66 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.215 0.531 . . . . 0.0 110.691 176.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 156.8 -95.56 0.15 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.663 178.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.48 ' CE3' HG11 ' A' ' 74' ' ' VAL . 45.3 m0 -90.38 134.41 34.35 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.871 0.367 . . . . 0.0 111.854 -175.559 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -98.36 119.81 60.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.816 173.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.521 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 74.1 Cg_endo -76.32 108.69 2.72 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.412 2.075 . . . . 0.0 111.537 177.199 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.0 m -100.59 -176.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.4 0.619 . . . . 0.0 112.145 -175.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.627 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 44.9 mt-10 -143.42 174.12 11.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.872 -174.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.77 -28.67 19.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.931 0.396 . . . . 0.0 110.659 177.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 m -72.24 -2.78 20.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.364 -173.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.7 t -155.57 17.56 0.39 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.732 0.301 . . . . 0.0 111.348 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.627 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 7.1 p -68.35 -39.49 80.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.898 0.38 . . . . 0.0 111.025 -177.226 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -73.23 -27.76 61.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -77.92 -37.83 46.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.863 0.363 . . . . 0.0 110.072 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.416 ' O ' HG22 ' A' ' 34' ' ' VAL . 49.0 t90 -65.71 -49.48 68.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.449 179.241 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.432 HD11 HD11 ' A' ' 39' ' ' ILE . 27.3 mm -59.9 -37.25 71.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.978 0.418 . . . . 0.0 110.525 177.733 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.441 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 1.2 tmmt? -61.39 -34.03 74.66 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.896 177.544 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 33' ' ' ARG . 26.5 ttt180 -81.05 -46.62 14.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.006 0.431 . . . . 0.0 111.578 -178.132 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 30' ' ' TRP . 35.3 m -81.43 -33.31 12.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.25 -175.083 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.19 -53.57 4.64 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 111.932 -0.467 . . . . 0.0 111.932 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -122.73 127.57 49.38 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.715 0.293 . . . . 0.0 110.64 -176.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.8 176.82 44.34 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.118 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' ' 97' ' ' VAL . 15.8 m -134.32 142.33 41.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.714 0.257 . . . . 0.0 111.084 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.47 HG22 HD12 ' A' ' 41' ' ' LEU . 2.4 mp -111.83 119.85 60.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 175.64 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 tt -95.2 119.92 34.53 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.47 HD12 HG22 ' A' ' 39' ' ' ILE . 8.2 mp -93.43 139.54 30.58 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.518 0.192 . . . . 0.0 111.518 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.9 m . . . . . 0 N--CA 1.469 0.495 0 O-C-N 124.089 0.868 . . . . 0.0 112.15 173.874 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.4 t . . . . . 0 CA--C 1.532 0.266 0 CA-C-O 121.198 0.523 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.6 mmt -55.79 -34.16 65.05 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.563 -178.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.9 mp -64.87 -35.16 74.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.73 0.3 . . . . 0.0 111.112 -177.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.69 98.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.007 0.432 . . . . 0.0 111.054 -178.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -75.49 -41.44 55.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.358 0.599 . . . . 0.0 109.963 178.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.564 HD11 HD21 ' A' ' 116' ' ' LEU . 1.3 tt -63.51 -46.96 83.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.368 -175.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.553 ' HG ' ' HB ' ' A' ' 72' ' ' VAL . 0.3 OUTLIER -63.45 -33.88 76.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.033 -172.277 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 63' ' ' ARG . 23.7 mtp180 -79.08 -8.08 58.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.557 -177.509 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -97.98 -87.53 0.33 Allowed 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.038 178.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 24.72 87.57 0.08 OUTLIER Pre-proline 0 N--CA 1.467 0.422 0 O-C-N 124.781 1.301 . . . . 0.0 113.425 -174.379 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.21 -11.97 33.62 Favored 'Trans proline' 0 CA--C 1.529 0.244 0 C-N-CA 122.631 2.221 . . . . 0.0 112.441 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -73.57 -59.04 2.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.995 -178.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -161.7 -178.5 6.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.432 -176.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -112.55 140.06 47.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.557 179.209 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -152.76 171.59 18.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.911 -177.468 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -86.05 146.51 26.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.972 0.415 . . . . 0.0 111.328 -177.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.553 ' HB ' ' HG ' ' A' ' 62' ' ' LEU . 5.4 p -114.04 129.58 69.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.31 178.677 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -133.08 141.67 48.32 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.141 0.496 . . . . 0.0 111.217 -177.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.521 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 16.5 m -131.67 158.52 43.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.265 179.55 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -140.44 144.37 36.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.028 0.442 . . . . 0.0 111.463 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -67.49 163.31 21.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.002 179.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.2 tt -60.25 -36.83 78.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.25 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.26 -38.58 89.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.271 0.557 . . . . 0.0 110.417 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.423 ' O ' HG13 ' A' ' 83' ' ' ILE . 85.9 mm-40 -76.29 -31.08 58.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.111 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.1 t -52.54 -46.03 66.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.174 -174.244 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -57.78 -46.7 84.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 -177.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.14 -36.16 77.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.164 -178.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 79' ' ' GLN . 65.7 mt -65.66 -39.68 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.007 0.432 . . . . 0.0 110.439 179.68 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.443 ' HA2' ' HB ' ' A' ' 89' ' ' VAL . . . -61.69 -28.01 69.21 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.233 176.735 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -77.86 -37.02 49.22 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.203 0.525 . . . . 0.0 110.244 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.406 ' HG2' ' CG1' ' A' ' 27' ' ' VAL . 25.8 tpt180 -52.12 -48.4 64.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.723 -1.126 . . . . 0.0 112.217 -173.58 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -131.96 21.46 4.54 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.776 -177.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 58.8 t30 71.56 80.72 0.15 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.937 170.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.443 ' HB ' ' HA2' ' A' ' 84' ' ' GLY . 65.8 t -112.11 102.43 13.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.914 174.119 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.71 -179.82 3.86 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 175.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.5 ' O ' ' HB2' ' A' ' 92' ' ' PHE . 10.3 tpt180 64.99 31.08 11.51 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 123.506 0.504 . . . . 0.0 110.587 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.5 ' HB2' ' O ' ' A' ' 91' ' ' ARG . 79.4 m-85 77.73 149.6 0.12 Allowed Pre-proline 0 N--CA 1.47 0.557 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.704 179.448 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -70.26 165.93 29.9 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.194 2.596 . . . . 0.0 113.408 -176.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -163.3 -161.6 0.68 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.454 -177.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.9 m -109.87 115.61 30.13 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 176.142 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.523 ' HA ' ' HA ' ' A' ' 106' ' ' ALA . 6.3 mp -94.07 143.18 26.59 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.989 0.423 . . . . 0.0 111.196 -175.312 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.509 ' HA ' HG12 ' A' ' 38' ' ' VAL . 58.6 t -101.64 115.4 43.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.75 -175.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.486 ' CZ ' HD13 ' A' ' 103' ' ' LEU . 49.7 m-85 -113.31 112.53 23.85 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.965 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 70.0 p -133.12 153.6 51.37 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 67.43 16.95 10.08 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 123.29 0.369 . . . . 0.0 110.644 178.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 76.68 7.56 85.89 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.963 -176.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -125.86 156.68 39.23 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 121.021 0.439 . . . . 0.0 111.032 -177.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.486 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 51.3 tp -80.31 110.97 16.25 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -88.13 -29.6 20.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.059 -177.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 166.24 -158.4 31.31 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.189 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.523 ' HA ' ' HA ' ' A' ' 96' ' ' LEU . . . -138.48 158.44 44.27 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 107' ' ' LEU . 0.2 OUTLIER -102.09 91.21 4.23 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -179.012 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.3 m -120.89 93.45 4.03 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.936 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.645 ' HA3' ' HG3' ' A' ' 115' ' ' GLU . . . -132.09 162.46 23.92 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.013 -178.506 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 17.7 tt -117.92 -11.02 11.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.307 0.575 . . . . 0.0 110.764 -177.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.512 ' O ' ' HG2' ' A' ' 115' ' ' GLU . 72.8 m-70 -99.99 131.3 24.58 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.46 177.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.27 107.38 0.36 Allowed 'Trans proline' 0 CA--C 1.529 0.241 0 C-N-CA 122.783 2.322 . . . . 0.0 112.585 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 74.0 -38.78 0.41 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.896 0.878 . . . . 0.0 112.529 175.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.58 -30.95 44.72 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -175.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.645 ' HG3' ' HA3' ' A' ' 109' ' ' GLY . 4.4 mm-40 -62.77 -30.64 71.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 110.985 -178.523 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.564 HD21 HD11 ' A' ' 61' ' ' LEU . 64.5 mt -63.62 -32.76 74.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.272 -178.238 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.461 ' O ' ' HB2' ' A' ' 121' ' ' ARG . 0.2 OUTLIER -59.84 -38.36 81.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.72 -177.275 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.6 m -88.35 -51.14 5.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.443 178.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.413 ' O ' HG13 ' A' ' 123' ' ' ILE . 93.9 mt -64.78 -50.09 68.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.911 -173.079 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 55.6 ttp -65.83 -33.8 76.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.923 0.392 . . . . 0.0 110.3 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 73.7 ttt180 -58.65 -41.34 85.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.301 178.334 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 24.8 t -75.48 -42.96 51.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.023 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 119' ' ' LEU . 84.9 mt -62.07 -49.35 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.302 -177.653 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 11.8 m -121.31 70.67 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.931 0.872 . . . . 0.0 110.591 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 24.2 t70 . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.61 -179.873 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.523 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 47.3 tp . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.73 0.3 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.55 ' CZ3' ' HG3' ' A' ' 21' ' ' PRO . 0.7 OUTLIER -58.55 -41.84 86.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.215 177.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -64.81 -38.23 90.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.816 0.341 . . . . 0.0 110.329 -178.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -73.12 -28.17 62.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.23 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 58.1 mt -68.82 -53.47 21.32 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.532 177.033 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.7 mp -53.58 -24.69 14.54 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -177.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.9 m -53.37 -39.55 64.3 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 178.54 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -157.13 -34.5 0.08 Allowed 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 -174.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 19' ' ' TRP . . . -136.29 149.14 20.01 Favored Glycine 0 C--O 1.225 -0.442 0 C-N-CA 119.912 -1.137 . . . . 0.0 113.365 -172.228 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.423 ' HB2' ' O ' ' A' ' 18' ' ' GLY . 60.8 m95 74.18 109.81 0.07 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.819 0.819 . . . . 0.0 110.86 -176.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.413 ' OE1' ' HD2' ' A' ' 21' ' ' PRO . 7.2 tp-100 -114.09 117.06 44.18 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.898 -176.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.685 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 37.0 Cg_exo -55.25 121.71 10.4 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.268 1.978 . . . . 0.0 111.519 175.498 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.607 HG21 HG23 ' A' ' 39' ' ' ILE . 1.2 m -84.93 175.52 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.237 0.542 . . . . 0.0 111.37 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.587 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 40.7 mt-10 -136.66 176.14 8.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.675 -174.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.72 -29.94 15.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.117 0.484 . . . . 0.0 110.85 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 m -83.23 -44.51 14.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.197 -177.173 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.407 ' OG1' ' HB2' ' A' ' 23' ' ' GLU . 20.8 p -91.71 -4.25 55.31 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -172.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.587 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 10.8 p -60.4 -37.71 75.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 120.705 0.288 . . . . 0.0 111.217 -176.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -62.55 -45.88 90.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.227 0.537 . . . . 0.0 110.314 -178.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 22.9 t70 -74.57 -31.22 62.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.628 -178.498 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 71.2 t90 -62.12 -48.46 80.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.807 175.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.48 ' HA ' HG22 ' A' ' 34' ' ' VAL . 79.8 mt -61.06 -38.42 79.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.146 176.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 32' ' ' LYS . 2.6 tmmm? -55.66 -43.35 76.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.085 175.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -77.39 -45.75 24.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.842 -174.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.48 HG22 ' HA ' ' A' ' 31' ' ' ILE . 25.6 m -77.36 -43.9 30.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.815 -174.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.92 -48.53 2.37 Favored Glycine 0 C--O 1.234 0.126 0 N-CA-C 111.965 -0.454 . . . . 0.0 111.965 -177.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.451 ' HA ' ' O ' ' A' ' 98' ' ' PHE . 9.3 m-20 -127.0 110.05 12.55 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.058 -0.571 . . . . 0.0 109.463 -179.086 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.54 176.98 44.61 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.637 -177.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.531 HG12 ' HA ' ' A' ' 97' ' ' VAL . 15.7 m -133.97 133.34 56.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.025 0.44 . . . . 0.0 111.708 -178.199 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.607 HG23 HG21 ' A' ' 22' ' ' VAL . 2.7 mp -101.03 115.37 42.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 174.322 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.422 HD22 HG23 ' A' ' 74' ' ' VAL . 5.3 tt -92.83 120.11 32.85 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 177.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.418 HD12 HG22 ' A' ' 39' ' ' ILE . 10.5 mp -85.76 131.68 34.27 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.514 -178.625 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 61.0 p . . . . . 0 N--CA 1.476 0.832 0 C-N-CA 124.625 1.17 . . . . 0.0 113.597 176.781 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.429 ' O ' ' HB3' ' A' ' 57' ' ' MET . 26.7 m . . . . . 0 C--O 1.235 0.29 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.429 ' HB3' ' O ' ' A' ' 56' ' ' VAL . 38.9 ttp 75.76 -47.22 0.58 Allowed 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.156 0.582 . . . . 0.0 110.554 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.444 ' H ' HD12 ' A' ' 58' ' ' ILE . 5.2 mp -68.68 -31.63 51.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 171.379 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.23 -48.48 79.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.168 178.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.505 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 2.1 mp0 -60.02 -42.13 93.66 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.675 177.327 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -54.34 -45.25 72.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.575 0.702 . . . . 0.0 109.784 176.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -70.33 -4.63 23.11 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.879 -1.055 . . . . 0.0 112.393 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.587 ' NE ' ' HA ' ' A' ' 63' ' ' ARG . 4.0 mmp_? -109.82 -47.43 3.35 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 13.1 pt-20 -95.56 24.3 5.35 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -173.471 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.479 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 2.0 t80 -90.65 107.59 21.39 Favored Pre-proline 0 C--N 1.329 -0.295 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 176.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 65' ' ' PHE . 5.8 Cg_exo -78.64 15.85 1.37 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.445 2.763 . . . . 0.0 113.372 -173.336 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -126.22 -46.03 1.66 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -176.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.563 ' HZ ' HG11 ' A' ' 124' ' ' VAL . 68.4 m-85 -113.84 111.65 22.08 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -169.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -88.6 58.05 4.48 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 163.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -89.78 -175.23 4.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.822 -1.081 . . . . 0.0 112.155 -171.19 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -112.49 120.58 42.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.83 -172.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.3 p -102.4 139.89 22.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.872 -177.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.526 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -143.37 151.95 41.03 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.49 177.223 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.685 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 4.3 p -135.85 143.09 37.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.956 0.407 . . . . 0.0 110.692 -177.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.54 ' HB1' ' HB2' ' A' ' 79' ' ' GLN . . . -96.19 149.5 21.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.558 177.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -68.07 -81.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.788 -177.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -155.04 -45.89 0.08 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 121.108 -0.237 . . . . 0.0 110.999 174.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.68 -43.79 97.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.607 0.718 . . . . 0.0 110.106 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.54 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . 17.9 mp0 -68.93 -30.35 68.79 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.496 -178.002 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.6 t -53.84 -55.31 27.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.986 -175.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -65.43 -37.41 86.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.762 0.315 . . . . 0.0 110.995 -175.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.29 -40.19 89.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.985 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.545 HG21 HG21 ' A' ' 39' ' ' ILE . 87.3 mt -70.7 -42.82 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.263 176.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -59.62 -40.41 96.38 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 111.715 177.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -56.95 -32.06 65.64 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 123.075 0.55 . . . . 0.0 111.743 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -34.0 56.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.923 -179.141 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.14 10.49 10.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.983 0.421 . . . . 0.0 110.612 177.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 64.6 t30 66.96 30.35 7.64 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.481 175.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.4 t -94.14 121.7 44.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.622 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.421 ' O ' ' HG3' ' A' ' 91' ' ' ARG . 20.0 ttm180 -147.47 94.28 2.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.722 179.526 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 90' ' ' ARG . 10.8 mtm180 172.09 111.77 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.192 0.997 . . . . 0.0 109.532 171.599 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 67.83 164.8 0.13 Allowed Pre-proline 0 N--CA 1.468 0.452 0 O-C-N 123.964 0.79 . . . . 0.0 111.497 177.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.12 133.38 30.64 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.236 1.957 . . . . 0.0 111.072 173.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.949 ' HA ' ' HA ' ' A' ' 108' ' ' SER . . . -134.08 141.97 47.37 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.618 0.246 . . . . 0.0 110.933 -177.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.475 HG22 ' HB ' ' A' ' 38' ' ' VAL . 7.0 m -118.17 116.15 26.23 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 175.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.603 ' HG ' ' HB2' ' A' ' 106' ' ' ALA . 6.3 mp -92.54 139.91 30.09 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.066 0.46 . . . . 0.0 111.244 -176.048 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.531 ' HA ' HG12 ' A' ' 38' ' ' VAL . 45.3 t -97.07 106.15 18.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.914 -176.111 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.458 ' CE2' HD13 ' A' ' 103' ' ' LEU . 41.2 m-85 -101.72 110.84 22.9 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.169 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.8 p -138.0 149.57 46.21 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.616 -0.266 . . . . 0.0 110.364 -177.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.2 t70 70.8 11.16 7.14 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.506 0.67 . . . . 0.0 110.064 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.33 -2.37 85.01 Favored Glycine 0 N--CA 1.444 -0.83 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.53 -175.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.9 pttm -128.76 165.29 21.22 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 121.43 0.633 . . . . 0.0 112.375 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.458 HD13 ' CE2' ' A' ' 98' ' ' PHE . 56.2 tp -89.13 121.96 31.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.274 -178.286 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 54.8 mtt180 -105.4 -14.93 15.17 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 153.25 -163.75 30.72 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.039 -1.077 . . . . 0.0 112.766 177.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.603 ' HB2' ' HG ' ' A' ' 96' ' ' LEU . . . -132.48 153.88 50.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.754 0.312 . . . . 0.0 110.676 -178.663 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.06 -10.24 15.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.204 -178.249 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.949 ' HA ' ' HA ' ' A' ' 94' ' ' ALA . 24.2 m 60.75 -163.55 0.25 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.143 -172.738 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.496 ' O ' HG22 ' A' ' 110' ' ' ILE . . . -84.13 -21.07 57.93 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.511 173.619 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.763 HG12 ' H ' ' A' ' 111' ' ' HIS . 5.8 tt 55.06 -174.03 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 C-N-CA 124.225 1.01 . . . . 0.0 112.138 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.763 ' H ' HG12 ' A' ' 110' ' ' ILE . 15.2 t-160 -165.43 -51.34 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.41 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.716 ' HD3' ' HB3' ' A' ' 111' ' ' HIS . 5.1 Cg_exo -80.3 168.39 18.48 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 122.21 1.94 . . . . 0.0 111.4 174.334 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -137.26 83.15 1.97 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.19 0.519 . . . . 0.0 110.225 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -148.41 -41.91 0.16 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.207 175.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.602 ' CD ' ' H ' ' A' ' 115' ' ' GLU . 0.8 OUTLIER -76.56 -23.25 53.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.815 -177.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.3 mt -53.99 -32.56 54.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.56 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.4 ' HA ' HD22 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -64.1 -46.1 85.71 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.763 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.8 m -71.76 -40.77 69.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.736 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 93.3 mt -59.38 -44.2 92.81 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.25 178.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -58.14 -44.18 87.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.354 177.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.419 ' HA ' ' HD2' ' A' ' 121' ' ' ARG . 7.0 tpt180 -68.52 -29.66 68.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -178.343 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.8 t -75.66 -39.09 58.18 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.039 0.447 . . . . 0.0 110.536 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.433 HG22 HG13 ' A' ' 124' ' ' VAL . 79.9 mt -74.7 -48.67 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.027 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.563 HG11 ' HZ ' ' A' ' 68' ' ' PHE . 6.0 m -130.97 76.4 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.799 0.809 . . . . 0.0 111.428 -178.626 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.568 174.366 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.482 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 67.2 tp . . . . . 0 N--CA 1.455 -0.185 0 CA-C-O 120.842 0.353 . . . . 0.0 110.19 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.523 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 76.6 t-105 -56.29 -51.43 68.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.939 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -65.19 -33.95 77.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.969 0.414 . . . . 0.0 110.778 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -68.86 -36.79 78.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.051 178.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 95.6 mt -68.71 -31.34 70.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.452 176.199 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 11' ' ' TRP . 82.3 mt -66.18 -26.05 67.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.082 0.468 . . . . 0.0 110.369 175.463 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 m -73.49 -29.54 62.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.247 0.546 . . . . 0.0 109.84 175.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -71.35 -25.01 62.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.801 176.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.4 -135.1 6.84 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.206 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.502 ' CE3' HG11 ' A' ' 74' ' ' VAL . 45.6 m0 69.68 176.63 0.27 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.758 0.789 . . . . 0.0 112.641 173.485 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -145.33 114.06 4.83 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 114.847 -1.069 . . . . 0.0 109.462 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -71.27 106.84 2.0 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.091 1.861 . . . . 0.0 111.93 178.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.463 HG21 HG13 ' A' ' 39' ' ' ILE . 16.8 m -99.9 178.49 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.533 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 46.4 mt-10 -141.89 173.29 11.64 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.148 -173.278 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.518 ' HB2' HG13 ' A' ' 83' ' ' ILE . . . -97.81 -26.44 14.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.213 -177.179 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.9 m -71.2 -22.51 62.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.251 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.4 t -135.38 20.95 3.39 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.814 0.34 . . . . 0.0 110.95 -175.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.533 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 7.6 p -60.33 -47.5 92.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.194 -176.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.1 -41.69 90.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.592 -177.295 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -66.65 -36.91 83.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.682 0.277 . . . . 0.0 110.872 -178.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -65.11 -45.82 83.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.894 0.378 . . . . 0.0 110.307 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.44 HD13 ' CD2' ' A' ' 98' ' ' PHE . 70.5 mt -61.79 -32.3 53.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.203 178.14 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.419 ' HE2' ' HB3' ' A' ' 32' ' ' LYS . 2.9 tmmm? -63.29 -36.23 82.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.351 175.507 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.33 -45.28 22.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.106 -174.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.441 ' HB ' ' NE2' ' A' ' 71' ' ' GLN . 26.9 m -87.17 -40.96 14.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -175.505 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.62 -62.38 0.71 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.414 -0.422 . . . . 0.0 112.059 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.473 ' OD1' ' HA ' ' A' ' 99' ' ' THR . 15.5 m-20 -117.94 150.27 39.51 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -176.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.85 -172.76 39.8 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.388 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.421 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 16.8 m -139.0 143.76 30.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.457 0.17 . . . . 0.0 110.627 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.463 HG13 HG21 ' A' ' 22' ' ' VAL . 2.1 mp -120.34 133.78 65.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 176.351 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.521 HD11 HG13 ' A' ' 58' ' ' ILE . 34.0 mt -83.6 140.61 32.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.743 176.109 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.6 mp -117.82 121.45 40.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.362 175.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.8 m . . . . . 0 N--CA 1.466 0.328 0 CA-C-O 121.976 0.894 . . . . 0.0 113.176 174.73 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 CA--C 1.523 -0.078 0 CA-C-O 120.91 0.386 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -47.62 -34.99 8.6 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.455 -176.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.521 HG13 HD11 ' A' ' 40' ' ' LEU . 44.8 mm -60.75 -33.77 56.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-O 120.893 0.377 . . . . 0.0 110.901 -177.372 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.461 ' HB2' ' HE1' ' A' ' 19' ' ' TRP . . . -78.1 -44.98 24.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.95 0.405 . . . . 0.0 111.044 179.183 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.55 -29.01 68.99 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.479 -178.1 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -41.0 63.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.152 0.501 . . . . 0.0 109.793 174.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.5 tp -66.97 -34.09 77.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 86.2 mtt-85 -64.04 -35.26 80.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -106.26 22.86 15.05 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.032 -174.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -112.2 90.25 13.57 Favored Pre-proline 0 C--N 1.331 -0.234 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.355 175.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -87.42 10.06 3.66 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.78 2.32 . . . . 0.0 112.393 -178.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -72.57 -39.59 67.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.371 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -177.16 -172.97 0.42 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.665 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -117.33 127.25 53.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.905 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -135.37 173.27 11.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.864 175.136 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.441 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -94.24 123.72 37.8 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.008 0.433 . . . . 0.0 110.657 -178.75 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.421 HG23 HG22 ' A' ' 58' ' ' ILE . 3.0 p -80.68 113.61 20.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.244 176.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -123.94 151.94 43.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.986 0.422 . . . . 0.0 111.072 -176.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.502 HG11 ' CE3' ' A' ' 19' ' ' TRP . 32.4 m -141.63 158.66 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.833 -175.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -114.98 157.17 23.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.032 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.409 ' OD1' HD22 ' A' ' 77' ' ' LEU . 6.3 t70 -82.65 -79.44 0.19 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.783 0.325 . . . . 0.0 110.859 -174.596 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.455 HD23 ' H ' ' A' ' 78' ' ' GLU . 2.2 pt? -157.72 -40.33 0.07 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.735 0.303 . . . . 0.0 111.146 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.455 ' H ' HD23 ' A' ' 77' ' ' LEU . 32.7 tt0 -77.46 -32.23 54.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.11 0.481 . . . . 0.0 110.825 -176.286 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.455 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 24.9 mp0 -62.66 -29.28 70.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.044 -178.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.7 m -50.46 -49.82 54.16 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 122.736 0.415 . . . . 0.0 111.803 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -62.36 -49.42 75.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.198 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.31 -35.1 71.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.731 -173.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.518 HG13 ' HB2' ' A' ' 24' ' ' ALA . 75.5 mt -68.31 -47.61 77.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.99 0.424 . . . . 0.0 110.114 176.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -65.24 -29.27 74.88 Favored Glycine 0 C--O 1.223 -0.579 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.155 178.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -75.33 -32.53 60.93 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.242 0.544 . . . . 0.0 110.791 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -51.24 -43.57 61.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.886 -178.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.478 ' HD1' HG23 ' A' ' 89' ' ' VAL . 0.9 OUTLIER -132.9 16.54 4.23 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -177.577 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 42.6 t30 63.73 80.61 0.23 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.436 0.636 . . . . 0.0 112.148 174.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.478 HG23 ' HD1' ' A' ' 87' ' ' PHE . 97.9 t -134.38 146.79 30.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.549 175.233 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.65 ' HB3' ' HD2' ' A' ' 92' ' ' PHE . 21.4 mmt180 -58.56 139.92 55.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.909 0.385 . . . . 0.0 111.738 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 74.1 mtm180 -84.07 75.74 10.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.085 0.469 . . . . 0.0 110.396 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.65 ' HD2' ' HB3' ' A' ' 90' ' ' ARG . 76.6 m-85 -135.54 152.4 76.28 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.247 177.085 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -56.1 100.71 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.807 2.338 . . . . 0.0 112.333 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -149.7 177.18 10.01 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.34 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.83 ' HB ' HD23 ' A' ' 107' ' ' LEU . 7.4 m -134.52 130.87 37.28 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.52 HD23 ' HB2' ' A' ' 106' ' ' ALA . 94.6 mt -92.46 142.2 27.68 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.69 0.281 . . . . 0.0 110.467 178.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.623 HG11 HG21 ' A' ' 123' ' ' ILE . 25.1 t -99.59 115.68 41.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.392 -178.265 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.473 ' CZ ' HD13 ' A' ' 103' ' ' LEU . 93.0 m-85 -112.38 116.94 31.14 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.086 0.47 . . . . 0.0 109.761 177.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.473 ' HA ' ' OD1' ' A' ' 36' ' ' ASP . 1.1 p -145.16 151.47 38.49 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.881 -178.353 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.673 ' HB2' HH12 ' A' ' 104' ' ' ARG . 3.7 t70 73.32 11.22 4.98 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.567 0.699 . . . . 0.0 109.624 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.14 -4.71 84.61 Favored Glycine 0 N--CA 1.442 -0.913 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.309 -175.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -127.56 175.1 8.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.252 0.548 . . . . 0.0 111.672 -176.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.473 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 59.5 tp -80.14 126.61 31.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.071 177.076 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.749 ' HG2' HG23 ' A' ' 123' ' ' ILE . 0.5 OUTLIER -98.45 -34.05 10.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.136 0.493 . . . . 0.0 110.154 -179.17 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 159.04 -137.88 5.39 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.39 -178.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.52 ' HB2' HD23 ' A' ' 96' ' ' LEU . . . -147.54 165.35 30.61 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.213 -0.292 . . . . 0.0 110.213 -179.017 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.83 HD23 ' HB ' ' A' ' 95' ' ' THR . 3.4 mm? -82.25 76.92 9.1 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 176.468 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.2 p -85.48 71.71 10.74 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.412 0.625 . . . . 0.0 110.954 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -110.4 -166.25 19.34 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.715 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 48.2 mm -105.08 -60.75 2.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.823 0.311 . . . . 0.0 111.453 -178.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.507 ' HB3' ' HD3' ' A' ' 112' ' ' PRO . 3.5 t60 -168.15 -53.54 0.0 OUTLIER Pre-proline 0 CA--C 1.539 0.523 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -174.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.507 ' HD3' ' HB3' ' A' ' 111' ' ' HIS . 98.4 Cg_endo -84.2 -162.0 0.15 Allowed 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 121.932 1.755 . . . . 0.0 113.324 -174.649 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -110.86 77.94 1.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.521 178.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -140.38 -47.43 0.43 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.288 0.566 . . . . 0.0 110.352 177.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.469 ' O ' HD23 ' A' ' 119' ' ' LEU . 1.8 pm0 -68.05 -27.72 66.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.234 -0.893 . . . . 0.0 110.243 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 43.1 mt -54.99 -37.66 66.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.726 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.34 -44.57 94.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.007 0.432 . . . . 0.0 110.764 -178.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.4 m -70.62 -43.52 69.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.981 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' ' 115' ' ' GLU . 2.9 mm? -62.26 -50.91 69.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.732 -179.404 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.589 ' O ' HG22 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -65.6 -30.42 71.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.059 -176.068 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -58.13 -40.83 82.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.9 0.381 . . . . 0.0 111.065 -177.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 34.9 t -76.46 -34.36 58.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.64 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.749 HG23 ' HG2' ' A' ' 104' ' ' ARG . 83.2 mt -73.0 -49.82 36.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.553 -176.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 120' ' ' MET . 35.0 m -100.36 67.96 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 122.391 1.091 . . . . 0.0 109.23 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.8 t70 . . . . . 0 N--CA 1.468 0.472 0 CA-C-N 113.176 -1.829 . . . . 0.0 113.087 -176.622 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.541 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 92.5 mt . . . . . 0 N--CA 1.461 0.113 0 CA-C-O 120.549 0.214 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.594 ' CZ3' ' HG3' ' A' ' 21' ' ' PRO . 2.3 m95 -62.72 -36.09 81.84 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.143 179.009 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -61.64 -39.69 92.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.316 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -38.32 73.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.052 176.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.61 HD22 ' HB2' ' A' ' 19' ' ' TRP . 74.8 mt -66.58 -52.79 41.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.154 -177.507 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.6 mp -54.89 -24.57 23.99 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.895 178.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.0 m -58.52 -43.45 89.16 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.358 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.429 ' HA ' ' HD2' ' A' ' 17' ' ' ARG . 19.0 tpt180 -166.99 -49.13 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -177.63 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' A' ' 19' ' ' TRP . . . -96.89 132.97 11.21 Favored Glycine 0 C--O 1.226 -0.399 0 C-N-CA 120.323 -0.941 . . . . 0.0 112.988 -173.097 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.61 ' HB2' HD22 ' A' ' 14' ' ' LEU . 21.1 m95 73.48 117.23 0.05 Allowed 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.809 0.814 . . . . 0.0 111.228 -178.476 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -114.09 136.02 22.16 Favored Pre-proline 0 C--N 1.318 -0.773 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.233 -177.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.673 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 6.7 Cg_exo -74.11 134.4 19.39 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.183 1.922 . . . . 0.0 110.932 171.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.49 HG13 ' HB1' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -97.98 -178.04 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.103 0.478 . . . . 0.0 111.635 -179.348 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.541 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 61.8 mt-10 -139.36 164.75 29.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.493 -174.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.478 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -79.32 -46.18 18.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.038 0.447 . . . . 0.0 111.16 -176.14 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.8 m -79.21 -15.12 58.53 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.833 -177.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.9 m -105.58 -20.12 13.56 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.834 -176.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.622 ' O ' HG13 ' A' ' 31' ' ' ILE . 14.4 p -60.91 -35.54 65.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 O-C-N 122.178 -0.326 . . . . 0.0 111.006 -177.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -65.74 -31.43 72.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.282 0.563 . . . . 0.0 110.556 -176.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.548 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 32.4 t70 -85.91 -36.78 19.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.321 178.744 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.533 ' O ' HG22 ' A' ' 34' ' ' VAL . 60.2 t90 -58.29 -41.51 84.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.619 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.622 HG13 ' O ' ' A' ' 27' ' ' VAL . 96.7 mt -54.42 -50.86 54.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.148 -178.356 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.548 ' HE2' ' HA ' ' A' ' 29' ' ' ASP . 31.6 mtmt -60.43 -57.83 11.08 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.38 0.609 . . . . 0.0 110.695 179.141 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.6 ttt-85 -53.55 -46.65 70.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.296 -1.32 . . . . 0.0 112.481 -171.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 30' ' ' TRP . 22.1 m -83.53 -31.49 8.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.024 -178.347 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.55 -52.99 3.92 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.214 178.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -126.14 124.22 40.04 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.942 0.401 . . . . 0.0 110.087 -175.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.561 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . 175.72 -176.65 47.51 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 111.736 -0.546 . . . . 0.0 111.736 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.543 HG12 ' HA ' ' A' ' 97' ' ' VAL . 14.7 m -139.88 139.89 36.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.916 0.358 . . . . 0.0 111.211 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.47 HG21 HG21 ' A' ' 83' ' ' ILE . 2.2 mp -108.08 119.05 56.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.219 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 mp -91.7 125.2 36.34 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 174.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.426 HD11 ' HZ ' ' A' ' 87' ' ' PHE . 10.2 mp -81.55 107.08 14.02 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 173.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.542 ' HA ' ' O ' ' A' ' 76' ' ' ASP . 14.0 m . . . . . 0 CA--C 1.533 0.297 0 O-C-N 123.724 0.64 . . . . 0.0 110.529 -171.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.3 t . . . . . 0 C--O 1.234 0.257 0 CA-C-O 121.356 0.598 . . . . 0.0 109.918 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -63.49 -31.11 72.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.941 177.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.5 mp -68.13 -36.01 73.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-O 121.108 0.48 . . . . 0.0 109.833 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.75 -37.07 85.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.874 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.57 ' OE2' ' HD3' ' A' ' 63' ' ' ARG . 7.6 tp10 -71.22 -40.36 71.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.713 178.47 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.1 tt -56.44 -46.63 80.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.276 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.428 ' O ' HD23 ' A' ' 62' ' ' LEU . 5.0 tt -51.61 -41.58 61.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.936 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.57 ' HD3' ' OE2' ' A' ' 60' ' ' GLU . 74.6 mtp180 -66.21 -38.05 87.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.172 -172.085 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.474 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 10.0 pt-20 -104.3 22.76 14.25 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -171.467 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -99.16 101.36 12.4 Favored Pre-proline 0 C--N 1.331 -0.236 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 174.415 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.474 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 92.3 Cg_endo -91.35 11.23 2.54 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 123.006 2.471 . . . . 0.0 113.826 -173.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.99 -79.88 0.41 Allowed 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.271 -177.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -108.26 157.6 18.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.071 0.462 . . . . 0.0 111.354 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -105.75 95.11 5.57 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.561 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -100.92 165.89 11.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.27 0.557 . . . . 0.0 112.126 -173.179 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -103.54 119.87 39.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.271 178.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.8 t -91.35 128.18 43.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.807 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.49 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -131.65 141.79 49.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.845 -179.099 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.673 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 3.5 p -132.75 140.66 46.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.478 -177.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.8 161.03 13.88 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 177.161 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.542 ' O ' ' HA ' ' A' ' 42' ' ' SER . 4.0 p-10 -74.21 -91.26 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.599 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.493 ' H ' ' CG ' ' A' ' 76' ' ' ASP . 82.3 mt -142.63 -49.3 0.35 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.185 0.517 . . . . 0.0 110.283 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -70.52 -33.4 71.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.866 -177.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.419 ' O ' HG13 ' A' ' 83' ' ' ILE . 2.9 mp0 -75.0 -32.35 61.63 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.782 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.8 m -50.71 -53.71 29.14 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -176.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.434 ' HG3' ' HE ' ' A' ' 90' ' ' ARG . 42.6 tt0 -66.56 -42.16 87.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.735 0.303 . . . . 0.0 111.169 -177.736 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.69 -41.84 98.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.217 -179.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.47 HG21 HG21 ' A' ' 39' ' ' ILE . 79.8 mt -68.46 -40.08 81.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.101 176.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.624 ' HA2' ' CE1' ' A' ' 87' ' ' PHE . . . -60.82 -37.31 93.46 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.528 178.589 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -60.44 -38.2 83.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.87 0.367 . . . . 0.0 110.625 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.445 ' HB3' ' O ' ' A' ' 83' ' ' ILE . 3.0 tpm_? -48.7 -49.4 38.08 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.376 177.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.624 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 3.1 p90 -106.1 14.98 27.02 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.791 0.329 . . . . 0.0 111.603 -179.081 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 63.87 21.69 12.73 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.401 174.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.469 ' HB ' ' CD1' ' A' ' 87' ' ' PHE . 61.9 t -120.47 93.58 2.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.108 0.48 . . . . 0.0 109.761 178.534 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.434 ' HE ' ' HG3' ' A' ' 81' ' ' GLU . 0.2 OUTLIER -133.13 25.55 4.22 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.84 -177.629 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 92' ' ' PHE . 37.0 ttt85 -104.32 110.36 22.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.744 176.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 63.3 m-85 71.36 151.77 0.14 Allowed Pre-proline 0 N--CA 1.47 0.537 0 O-C-N 124.054 0.846 . . . . 0.0 111.6 -177.131 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 92' ' ' PHE . 6.6 Cg_exo -74.01 110.72 3.14 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.689 2.259 . . . . 0.0 111.58 176.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -128.93 174.15 9.77 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.787 -177.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.0 m -124.97 123.03 39.0 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.488 ' HB3' HD11 ' A' ' 103' ' ' LEU . 6.2 mp -98.43 143.87 28.4 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.943 -178.559 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.543 ' HA ' HG12 ' A' ' 38' ' ' VAL . 46.3 t -99.71 113.83 36.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.824 -175.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.451 ' CE2' HD13 ' A' ' 103' ' ' LEU . 87.2 m-85 -108.64 119.93 40.97 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.768 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.652 ' OG1' ' HG3' ' A' ' 104' ' ' ARG . 0.5 OUTLIER -148.37 150.78 34.16 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.886 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.47 ' HB2' ' O ' ' A' ' 99' ' ' THR . 4.6 m-20 69.26 12.81 8.5 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.532 0.52 . . . . 0.0 110.692 -174.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.92 12.48 83.38 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.648 -176.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -132.32 167.42 19.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.05 0.452 . . . . 0.0 111.107 -177.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.488 HD11 ' HB3' ' A' ' 96' ' ' LEU . 45.6 tp -87.68 109.87 20.0 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.711 176.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.652 ' HG3' ' OG1' ' A' ' 99' ' ' THR . 18.5 mmt180 -82.92 -38.02 23.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.733 -178.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.435 ' HA3' HD13 ' A' ' 123' ' ' ILE . . . 172.67 -145.82 8.74 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.278 -178.293 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.436 ' HA ' ' HA ' ' A' ' 96' ' ' LEU . . . -134.62 162.25 32.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.689 0.244 . . . . 0.0 110.885 -177.413 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.415 HD21 HD21 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -109.24 14.53 23.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.785 0.802 . . . . 0.0 109.126 -178.351 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.2 m -129.1 97.36 4.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.017 -176.238 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -121.87 -67.29 0.24 Allowed Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 174.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.437 ' O ' ' HB2' ' A' ' 111' ' ' HIS . 10.5 tt -143.84 97.08 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 173.406 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.437 ' HB2' ' O ' ' A' ' 110' ' ' ILE . 91.8 m-70 71.71 139.41 0.06 OUTLIER Pre-proline 0 N--CA 1.47 0.571 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.405 -172.032 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.83 -43.66 55.1 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.902 2.401 . . . . 0.0 112.81 -177.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -116.62 103.3 10.24 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.005 -178.279 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -176.83 -59.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.361 175.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.469 ' O ' HD23 ' A' ' 119' ' ' LEU . 17.4 mm-40 -74.38 -6.51 48.57 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.259 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.654 ' HA ' ' HB2' ' A' ' 119' ' ' LEU . 17.9 mt -54.77 -32.43 60.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.773 0.321 . . . . 0.0 111.047 175.514 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.2 -35.84 78.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.77 177.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.7 m -87.18 -34.78 18.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.968 0.413 . . . . 0.0 110.172 177.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.654 ' HB2' ' HA ' ' A' ' 116' ' ' LEU . 1.2 mm? -54.66 -49.56 70.31 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.516 177.611 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.782 ' HA ' HG23 ' A' ' 124' ' ' VAL . 22.0 ptp -66.1 -12.59 56.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.466 -178.337 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.554 ' HA ' ' CZ ' ' A' ' 121' ' ' ARG . 2.8 tpm_? -99.87 -55.36 2.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.237 0.541 . . . . 0.0 110.744 177.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.7 t -75.5 -52.36 10.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.077 -171.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.511 HD12 HD13 ' A' ' 119' ' ' LEU . 47.0 mt -93.01 -50.34 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -171.561 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.782 HG23 ' HA ' ' A' ' 120' ' ' MET . 6.0 m -110.7 61.79 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.336 0.588 . . . . 0.0 110.999 -178.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.778 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 tm? . . . . . 0 N--CA 1.455 -0.201 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 45.3 t-105 -64.17 -31.19 72.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.173 176.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -56.74 -31.11 64.23 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.091 0.472 . . . . 0.0 110.99 178.094 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 13' ' ' ARG . 12.1 mmt85 -62.08 -28.25 69.48 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.938 179.24 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.631 HD22 ' HB2' ' A' ' 19' ' ' TRP . 37.5 mt -73.65 -29.77 62.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.449 0.642 . . . . 0.0 110.573 -178.254 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 mp -73.68 -26.36 60.69 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.819 175.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.4 m -64.81 -50.82 65.21 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.924 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -178.19 -32.56 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 178.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.611 ' O ' ' HA ' ' A' ' 14' ' ' LEU . . . -71.2 132.1 20.83 Favored Glycine 0 C--O 1.226 -0.382 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.51 -176.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.631 ' HB2' HD22 ' A' ' 14' ' ' LEU . 29.7 m0 62.46 -172.18 0.16 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.373 0.606 . . . . 0.0 111.645 -179.112 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.422 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 27.9 mm-40 -149.16 128.19 6.19 Favored Pre-proline 0 N--CA 1.444 -0.748 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.58 175.597 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 20' ' ' GLN . 1.7 Cg_endo -81.48 108.12 1.9 Allowed 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 122.718 2.279 . . . . 0.0 111.586 177.258 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.497 HG13 ' HB1' ' A' ' 73' ' ' ALA . 5.4 m -92.49 -173.05 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.415 -177.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.556 ' HB3' HG22 ' A' ' 26' ' ' THR . 2.5 tm-20 -133.62 179.54 6.16 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.819 -172.46 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.6 -32.24 12.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.327 -176.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.55 ' H ' ' CD ' ' A' ' 23' ' ' GLU . 3.8 m -90.76 -37.7 13.5 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.828 0.347 . . . . 0.0 111.071 -179.5 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.556 HG22 ' HB3' ' A' ' 23' ' ' GLU . 1.1 t -72.78 -7.46 50.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.752 0.31 . . . . 0.0 111.509 -177.535 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -58.91 -34.68 53.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.391 -175.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -59.53 -53.91 52.68 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.045 0.45 . . . . 0.0 110.7 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -70.8 -38.19 73.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.911 -175.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.609 ' O ' HG22 ' A' ' 34' ' ' VAL . 26.9 t90 -61.23 -52.31 65.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.553 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.0 mm -63.08 -42.42 96.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.9 0.381 . . . . 0.0 110.735 -178.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.494 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -65.72 -32.14 73.52 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.16 179.733 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -75.92 -47.05 26.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.002 0.43 . . . . 0.0 110.892 -175.232 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 30' ' ' TRP . 25.3 m -85.4 -52.1 12.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.396 -178.253 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.408 ' N ' HG23 ' A' ' 34' ' ' VAL . . . 91.95 -26.02 14.52 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.168 -0.539 . . . . 0.0 111.858 -177.617 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -128.91 139.32 52.18 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 122.747 0.419 . . . . 0.0 110.073 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 71' ' ' GLN . . . 157.21 171.1 22.86 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.487 178.394 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.562 HG12 ' HA ' ' A' ' 97' ' ' VAL . 28.8 m -134.0 136.05 54.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.933 0.397 . . . . 0.0 111.046 179.128 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.485 HD13 ' CE1' ' A' ' 98' ' ' PHE . 2.3 mp -107.0 124.39 62.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.661 175.308 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.666 ' HG ' HG12 ' A' ' 58' ' ' ILE . 0.8 OUTLIER -82.94 121.43 26.97 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 175.408 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.3 mp -88.65 116.44 26.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.36 177.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 C--N 1.333 -0.148 0 O-C-N 123.809 0.693 . . . . 0.0 111.836 179.084 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.8 m . . . . . 0 N--CA 1.455 -0.178 0 CA-C-O 121.542 0.687 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 46.3 ttm 173.44 -46.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.735 -1.12 . . . . 0.0 109.133 -177.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.666 HG12 ' HG ' ' A' ' 40' ' ' LEU . 2.8 mp -73.04 -25.39 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.387 -179.266 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.56 -45.59 82.74 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 174.056 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 1.7 mp0 -63.78 -38.0 89.45 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.322 174.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.55 ' HB2' ' HA ' ' A' ' 58' ' ' ILE . 0.1 OUTLIER -53.71 -53.49 51.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.125 176.212 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.626 HD22 ' HB ' ' A' ' 72' ' ' VAL . 14.3 tp -69.64 -37.26 76.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.899 -174.085 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.411 ' HG2' ' HA ' ' A' ' 60' ' ' GLU . 11.5 ptm180 -74.37 -2.31 24.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.874 0.369 . . . . 0.0 111.636 -173.4 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 5.9 mm-40 -86.11 -3.33 58.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.444 175.642 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.8 96.17 19.22 Favored Pre-proline 0 C--N 1.334 -0.101 0 CA-C-O 120.896 0.379 . . . . 0.0 111.086 177.479 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 94.9 Cg_endo -93.29 16.32 1.28 Allowed 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 123.063 2.509 . . . . 0.0 111.904 176.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.64 -64.68 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.74 -174.449 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.471 ' HD1' ' H ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -132.21 152.95 51.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.112 0.482 . . . . 0.0 111.686 -175.356 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -94.24 129.14 40.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.34 -175.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -149.04 179.02 8.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.564 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.413 ' O ' ' HA2' ' A' ' 37' ' ' GLY . 28.2 mp0 -94.42 148.09 22.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.102 0.477 . . . . 0.0 111.753 -176.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.626 ' HB ' HD22 ' A' ' 62' ' ' LEU . 6.8 p -123.06 133.37 69.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.672 175.49 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.497 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -143.07 157.74 44.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.945 0.403 . . . . 0.0 111.573 -177.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.508 HG11 ' CE3' ' A' ' 19' ' ' TRP . 24.1 m -133.49 161.68 40.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.946 -178.212 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.91 157.38 46.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.063 0.458 . . . . 0.0 111.759 -177.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.402 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 17.3 t70 -67.88 151.89 46.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.205 179.155 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.5 tt -57.71 -46.88 83.78 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.404 -177.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.68 -36.61 82.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.176 0.512 . . . . 0.0 110.362 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.473 ' OE1' ' HG2' ' A' ' 23' ' ' GLU . 1.8 tt0 -67.77 -39.08 84.14 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.148 -179.136 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.489 ' HA ' ' HB ' ' A' ' 83' ' ' ILE . 39.5 t -59.06 -29.6 67.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.572 179.048 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -61.06 -42.91 99.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.24 0.543 . . . . 0.0 109.659 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.25 -28.68 53.71 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.693 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.489 ' HB ' ' HA ' ' A' ' 80' ' ' SER . 66.7 mt -66.84 -51.12 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.57 177.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.09 -28.91 69.72 Favored Glycine 0 C--O 1.226 -0.367 0 C-N-CA 120.743 -0.742 . . . . 0.0 111.573 176.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -69.79 -38.99 76.85 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.613 0.72 . . . . 0.0 110.35 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -53.64 -57.59 10.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.507 -1.224 . . . . 0.0 112.219 -178.272 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.438 ' O ' ' HB3' ' A' ' 88' ' ' ASN . 0.5 OUTLIER -91.86 -15.72 27.76 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.208 -175.696 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.438 ' HB3' ' O ' ' A' ' 87' ' ' PHE . 52.8 t30 80.43 68.49 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 O-C-N 124.743 1.277 . . . . 0.0 109.737 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 23.5 t -129.45 152.36 37.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.032 -178.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -71.3 150.7 44.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.054 178.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -90.37 92.75 9.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.954 0.407 . . . . 0.0 111.859 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -140.36 152.49 66.9 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 173.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -53.98 103.23 0.09 OUTLIER 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.624 2.216 . . . . 0.0 111.734 177.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -147.99 159.47 43.85 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.894 -175.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 27.5 m -119.47 124.19 45.87 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.679 176.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.444 ' HB3' HD11 ' A' ' 103' ' ' LEU . 64.9 mt -92.03 124.86 36.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.009 0.433 . . . . 0.0 110.007 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.562 ' HA ' HG12 ' A' ' 38' ' ' VAL . 64.3 t -96.21 113.05 29.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.459 -178.063 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.485 ' CE1' HD13 ' A' ' 39' ' ' ILE . 84.8 m-85 -105.05 114.46 28.67 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.879 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.2 m -142.47 149.72 39.59 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 177.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.7 t70 69.95 9.64 7.17 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.792 0.806 . . . . 0.0 109.748 -176.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.23 0.76 89.44 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.568 -173.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -110.51 149.59 30.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.898 0.38 . . . . 0.0 111.184 -177.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.444 HD11 ' HB3' ' A' ' 96' ' ' LEU . 44.1 tp -72.24 97.46 1.99 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 169.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.56 ' HG3' HD13 ' A' ' 123' ' ' ILE . 22.6 tpp85 -97.33 -33.23 11.51 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.576 -168.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -133.65 147.86 19.19 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.078 -1.058 . . . . 0.0 112.992 -177.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.57 99.22 3.44 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 175.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -115.62 139.16 50.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.988 0.423 . . . . 0.0 111.483 -173.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.7 m -118.84 16.07 13.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.404 177.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -69.04 167.3 46.33 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 121.113 -0.565 . . . . 0.0 112.736 -177.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.449 ' N ' HD12 ' A' ' 110' ' ' ILE . 4.2 mp -94.66 -75.07 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 110.165 -179.181 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.664 ' HB3' ' HD3' ' A' ' 112' ' ' PRO . 2.6 t-160 -148.4 -49.68 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 177.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.664 ' HD3' ' HB3' ' A' ' 111' ' ' HIS . 4.4 Cg_exo -77.96 58.86 6.7 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.145 1.897 . . . . 0.0 110.555 168.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.696 ' CD1' ' HB2' ' A' ' 116' ' ' LEU . 3.3 p90 -71.03 -36.97 72.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.335 -173.451 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 68.55 -54.3 0.54 Allowed 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.755 0.659 . . . . 0.0 112.46 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.413 ' O ' ' HG ' ' A' ' 119' ' ' LEU . 46.3 mt-10 -52.98 -42.07 65.2 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -174.39 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.696 ' HB2' ' CD1' ' A' ' 113' ' ' TRP . 14.7 mt -56.93 -32.89 66.43 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -177.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.573 ' O ' ' HB2' ' A' ' 121' ' ' ARG . 3.9 mm? -60.21 -36.29 77.33 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.814 0.34 . . . . 0.0 110.639 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.8 m -87.41 -37.16 17.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.092 0.472 . . . . 0.0 111.015 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 115' ' ' GLU . 86.8 mt -69.24 -50.97 42.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.993 -175.119 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.516 ' HG3' ' O ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -71.45 -27.29 63.16 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.619 -0.432 . . . . 0.0 109.98 -177.266 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.573 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 26.7 ttt180 -56.36 -43.75 79.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.057 177.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.4 m -76.72 -30.26 56.56 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.756 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.56 HD13 ' HG3' ' A' ' 104' ' ' ARG . 87.1 mt -86.57 -50.21 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -171.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 16.9 m -105.96 68.48 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 122.023 0.916 . . . . 0.0 109.888 -175.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 114.069 -1.423 . . . . 0.0 111.734 -178.413 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.682 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 2.8 mm? . . . . . 0 C--O 1.226 -0.172 0 CA-C-O 120.448 0.166 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.559 ' HE3' ' HB2' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -59.74 -32.39 70.51 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.814 -174.909 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -62.6 -49.8 73.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.292 0.567 . . . . 0.0 110.708 178.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.469 ' HD3' ' HA ' ' A' ' 13' ' ' ARG . 18.6 mmt180 -75.09 -28.17 60.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.958 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.682 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 77.0 mt -64.48 -37.6 88.12 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 175.044 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.09 -26.91 67.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.784 174.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.3 m -68.58 -50.3 52.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.364 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -160.87 131.75 5.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.759 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 119.51 -66.42 0.4 Allowed Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.574 -0.822 . . . . 0.0 113.024 173.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.629 ' HB2' ' HB3' ' A' ' 14' ' ' LEU . 14.3 m95 -95.93 123.31 39.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.083 0.468 . . . . 0.0 110.83 -174.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -93.13 122.3 63.69 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.504 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.496 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 51.3 Cg_endo -72.69 102.88 1.47 Allowed 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.326 2.017 . . . . 0.0 111.44 175.198 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.0 m -87.28 172.36 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.481 -177.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.542 ' HG2' ' HG3' ' A' ' 79' ' ' GLN . 40.3 mt-10 -148.42 162.32 39.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.739 -173.142 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.64 -26.94 55.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.757 0.313 . . . . 0.0 110.792 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.6 m -66.75 -19.36 65.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.663 -178.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 t -140.37 19.6 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.074 0.464 . . . . 0.0 111.067 -177.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.445 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 13.5 p -66.13 -43.59 92.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.281 -175.695 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -60.29 -43.64 96.1 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.968 0.413 . . . . 0.0 110.826 -178.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 33' ' ' ARG . 14.9 t70 -63.61 -47.61 80.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.77 -179.124 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.434 ' O ' HG22 ' A' ' 34' ' ' VAL . 74.8 t90 -59.96 -48.22 82.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.856 -177.718 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.443 HG23 ' HB3' ' A' ' 98' ' ' PHE . 78.7 mt -58.32 -45.27 89.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.699 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -67.32 -40.02 85.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.582 0.706 . . . . 0.0 110.841 -178.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 1.8 tmt_? -64.13 -44.87 90.88 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.616 -1.175 . . . . 0.0 111.478 -177.597 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 30' ' ' TRP . 33.7 m -83.31 -38.89 14.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.315 -179.003 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.9 -39.94 1.83 Allowed Glycine 0 N--CA 1.458 0.161 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.603 178.324 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -129.01 102.11 6.36 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.726 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . -165.96 -166.11 24.43 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.423 -176.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 96' ' ' LEU . 2.4 p -158.04 140.7 5.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.008 0.433 . . . . 0.0 111.599 -178.596 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.56 HG22 HD12 ' A' ' 41' ' ' LEU . 2.6 mp -109.92 122.43 64.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.344 176.427 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 tt -91.49 124.01 35.34 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 177.178 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.56 HD12 HG22 ' A' ' 39' ' ' ILE . 10.3 mp -101.32 112.98 25.64 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -176.667 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.722 ' HB2' ' HB3' ' A' ' 93' ' ' PRO . 66.5 m . . . . . 0 N--CA 1.466 0.334 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 173.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.2 t . . . . . 0 CA--C 1.536 0.422 0 CA-C-O 121.176 0.513 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 52.5 ttm -54.81 -45.56 74.42 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.931 -176.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.8 mp -64.78 -37.32 79.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-O 120.676 0.274 . . . . 0.0 111.111 -176.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.75 -39.12 84.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.861 0.362 . . . . 0.0 111.306 -177.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 10.9 tp10 -73.3 -39.59 65.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.149 0.5 . . . . 0.0 109.916 178.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.38 -35.2 71.64 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.927 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 59.1 tp -57.9 -45.73 86.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.059 -176.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 8.8 ptp180 -76.36 -16.38 59.75 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -173.328 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.498 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 7.0 tp10 -102.42 2.98 37.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.059 0.457 . . . . 0.0 110.64 -176.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.14 102.97 17.34 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.518 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.498 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 73.0 Cg_endo -91.21 0.95 4.75 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.854 2.37 . . . . 0.0 113.005 -177.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -92.64 -17.95 23.67 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -173.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.7 ' HZ ' HG11 ' A' ' 124' ' ' VAL . 74.5 m-85 -132.83 165.03 25.53 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.737 0.78 . . . . 0.0 112.931 -173.676 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -132.5 35.7 3.62 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 173.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.726 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . 0.1 OUTLIER -74.02 164.95 25.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.271 -1.331 . . . . 0.0 113.363 -169.871 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -102.83 125.0 49.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.718 -1.128 . . . . 0.0 109.637 175.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.9 t -87.48 130.8 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.61 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -137.69 160.49 39.06 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.523 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.543 HG22 ' H ' ' A' ' 76' ' ' ASP . 4.4 p -139.4 141.44 35.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.61 31.79 3.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.152 -176.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.543 ' H ' HG22 ' A' ' 74' ' ' VAL . 25.6 t70 56.46 -105.98 0.3 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.668 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.418 HD12 ' C ' ' A' ' 76' ' ' ASP . 6.1 mp -140.52 -51.86 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 110.344 175.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.88 -53.15 61.52 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.453 -176.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.542 ' HG3' ' HG2' ' A' ' 23' ' ' GLU . 82.6 mm-40 -65.88 -25.67 67.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.487 -177.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.6 m -63.43 -37.27 86.66 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.249 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -65.85 -40.17 91.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.86 0.362 . . . . 0.0 110.224 179.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.56 -39.65 91.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.836 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.7 mt -69.1 -42.54 81.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.48 177.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.429 ' HA2' HG23 ' A' ' 89' ' ' VAL . . . -64.04 -28.79 73.33 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.537 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -75.45 -40.88 56.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.95 0.405 . . . . 0.0 110.849 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -45.25 -48.37 12.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.797 -1.092 . . . . 0.0 112.326 -175.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -122.68 12.96 9.98 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.323 -178.427 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 50.0 t30 58.69 80.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.588 0.708 . . . . 0.0 111.949 175.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.429 HG23 ' HA2' ' A' ' 84' ' ' GLY . 4.0 t -86.39 44.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.954 175.009 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 62.59 12.02 5.19 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.071 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 62.6 22.84 13.57 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.35 -175.396 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 53.8 m-85 -112.08 128.87 24.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.759 0.314 . . . . 0.0 110.729 177.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.722 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 17.1 Cg_exo -67.66 125.71 13.67 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.94 2.427 . . . . 0.0 111.536 176.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -154.39 -170.33 3.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.709 -178.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.9 m -111.48 114.81 28.17 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 38' ' ' VAL . 6.1 mp -103.33 127.93 50.55 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.662 0.268 . . . . 0.0 111.246 -176.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.496 HG23 HD23 ' A' ' 107' ' ' LEU . 78.4 t -80.06 127.87 39.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.159 177.663 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.443 ' HB3' HG23 ' A' ' 31' ' ' ILE . 79.3 m-85 -121.45 97.9 5.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.305 0.574 . . . . 0.0 110.821 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.465 HG21 ' CE1' ' A' ' 68' ' ' PHE . 50.2 p -131.95 169.97 15.55 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 178.363 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 71.21 5.16 5.35 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.685 0.615 . . . . 0.0 109.945 -177.098 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 63.6 27.85 71.6 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -166.354 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -134.57 174.17 10.85 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 121.031 0.443 . . . . 0.0 110.729 -173.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 64.6 tp -91.38 108.66 20.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.022 176.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' A' ' 104' ' ' ARG . 3.3 mmp_? -76.08 -61.03 2.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.145 0.498 . . . . 0.0 109.662 176.154 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 158.34 -179.6 33.91 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.679 -0.692 . . . . 0.0 112.253 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.459 ' HB2' ' HG ' ' A' ' 96' ' ' LEU . . . -101.17 140.96 34.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.667 0.27 . . . . 0.0 110.971 -178.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.496 HD23 HG23 ' A' ' 97' ' ' VAL . 4.0 mm? -115.56 156.9 24.92 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.403 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 30.9 t -136.26 139.32 42.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.745 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -81.22 87.47 1.37 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.116 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 41.8 mm -78.54 -41.98 25.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.104 0.478 . . . . 0.0 110.345 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.413 ' HB3' ' HD2' ' A' ' 112' ' ' PRO . 40.1 m80 -146.5 166.24 17.33 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.422 179.291 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' A' ' 111' ' ' HIS . 26.5 Cg_endo -64.16 86.52 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 121.988 1.792 . . . . 0.0 110.686 169.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.94 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.0 OUTLIER 70.54 -97.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.116 -173.81 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 49.69 -86.96 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -74.81 -21.64 59.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.884 -176.243 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.94 HD12 ' HA ' ' A' ' 113' ' ' TRP . 37.0 mt -55.46 -31.71 62.17 Favored 'General case' 0 C--O 1.224 -0.258 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -177.63 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.559 HD22 ' HD1' ' A' ' 113' ' ' TRP . 3.9 mm? -53.58 -47.77 69.82 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.937 0.398 . . . . 0.0 111.404 179.287 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 25.3 m -75.42 -34.5 61.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.77 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.448 HD12 HD23 ' A' ' 116' ' ' LEU . 96.8 mt -64.32 -46.91 81.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.543 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -47.96 78.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.344 179.445 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.544 ' O ' ' HD3' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -63.57 -40.75 97.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.893 0.377 . . . . 0.0 110.389 -177.204 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 8.5 t -69.08 -40.96 78.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.959 -177.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.592 HG22 HG13 ' A' ' 124' ' ' VAL . 75.8 mt -77.28 -49.39 22.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.814 0.34 . . . . 0.0 111.255 -178.09 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.7 HG11 ' HZ ' ' A' ' 68' ' ' PHE . 6.3 m -135.04 77.91 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.368 0.604 . . . . 0.0 111.774 -174.688 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.7 t70 . . . . . 0 N--CA 1.466 0.355 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.35 176.377 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.622 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 59.3 tp . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.407 0.146 . . . . 0.0 110.718 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.564 ' CZ3' ' HG3' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -56.82 -37.15 70.81 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.226 -179.008 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -56.76 -44.16 81.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.05 0.452 . . . . 0.0 110.569 178.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -73.48 -31.74 63.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.918 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 58.9 mt -68.78 -42.9 76.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.716 -178.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.9 mp -62.18 -25.99 68.09 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.905 0.383 . . . . 0.0 110.882 174.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.5 m -72.79 -56.43 5.25 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 178.94 133.53 0.08 Allowed 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.609 175.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 148.23 -97.21 0.18 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.096 178.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.471 ' CH2' ' HB ' ' A' ' 58' ' ' ILE . 38.1 m0 -92.32 116.02 28.6 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 178.57 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.487 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 0.9 OUTLIER -88.39 131.22 42.93 Favored Pre-proline 0 C--N 1.315 -0.922 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.366 178.843 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.68 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 26.6 Cg_exo -62.44 106.3 0.48 Allowed 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.768 2.312 . . . . 0.0 112.277 -178.764 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.9 m -87.74 175.26 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.944 179.168 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.517 ' HG2' ' HB3' ' A' ' 79' ' ' GLN . 0.2 OUTLIER -153.01 178.46 9.68 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.305 -173.882 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.434 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -83.0 -34.97 26.22 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.397 0.618 . . . . 0.0 109.742 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.8 m -63.92 -30.97 72.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.096 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.2 t -121.5 16.66 11.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.673 -175.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.51 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 14.0 p -67.61 -42.22 86.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.739 0.304 . . . . 0.0 110.194 -179.075 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -58.06 -43.85 87.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.158 0.504 . . . . 0.0 110.665 177.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -64.25 -50.68 67.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.012 -176.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.495 ' O ' HG22 ' A' ' 34' ' ' VAL . 84.6 t90 -61.45 -44.33 97.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.981 -176.673 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 88.6 mt -59.55 -42.78 89.19 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.084 0 CA-C-O 120.89 0.376 . . . . 0.0 110.69 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -69.79 -36.49 75.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.225 0.536 . . . . 0.0 110.966 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.454 ' HA ' ' HD2' ' A' ' 33' ' ' ARG . 9.8 mmm180 -71.17 -44.73 64.91 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.497 -174.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 30' ' ' TRP . 34.7 m -90.45 -39.75 12.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.582 -178.301 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.64 -54.27 3.77 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.412 -0.423 . . . . 0.0 112.356 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -122.87 123.6 41.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.862 0.363 . . . . 0.0 110.349 -177.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 172.46 -164.67 37.03 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.279 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.594 HG12 ' HA ' ' A' ' 97' ' ' VAL . 23.1 m -141.25 144.75 25.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.57 0.224 . . . . 0.0 110.805 -179.368 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.519 HG22 HD12 ' A' ' 41' ' ' LEU . 2.0 mp -104.72 112.33 37.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 173.113 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.8 tt -87.09 104.52 16.41 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 175.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.519 HD12 HG22 ' A' ' 39' ' ' ILE . 11.0 mp -62.01 128.65 37.18 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.563 0.22 . . . . 0.0 111.321 -176.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 83.8 p . . . . . 0 N--CA 1.467 0.42 0 C-N-CA 123.617 0.767 . . . . 0.0 111.92 -175.903 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 CA--C 1.531 0.234 0 CA-C-O 121.069 0.462 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 72.8 mtm -59.21 -34.29 71.99 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.896 -178.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.471 ' HB ' ' CH2' ' A' ' 19' ' ' TRP . 4.2 mp -68.78 -25.11 29.69 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-O 121.155 0.502 . . . . 0.0 110.65 -177.638 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.91 -46.77 70.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.566 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -71.78 -30.46 65.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.738 178.153 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 49.9 tp -52.33 -47.56 65.95 Favored 'General case' 0 CA--C 1.518 -0.274 0 O-C-N 123.723 0.64 . . . . 0.0 110.308 176.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.528 ' HA ' ' HE1' ' A' ' 70' ' ' TRP . 4.4 tt -54.76 -49.5 70.7 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.847 -1.07 . . . . 0.0 110.308 177.021 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -63.12 -50.13 71.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.675 -174.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 12.0 pt-20 -92.39 25.01 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -172.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.462 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 2.5 t80 -84.91 107.8 12.9 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 174.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 65' ' ' PHE . 2.7 Cg_endo -81.3 3.08 8.1 Favored 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 123.266 2.644 . . . . 0.0 113.136 -173.343 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.446 ' HG3' HG21 ' A' ' 124' ' ' VAL . 84.1 mm-40 -87.75 -60.15 2.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.873 -178.47 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -161.15 -164.85 1.23 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.951 -176.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -116.0 148.71 39.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.739 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.528 ' HE1' ' HA ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -155.12 162.3 41.03 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.691 -177.803 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -101.17 116.2 32.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.971 0.415 . . . . 0.0 110.784 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 90.3 t -91.35 133.73 32.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.902 0.382 . . . . 0.0 110.68 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -131.21 150.72 52.03 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.133 177.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.68 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 7.9 p -118.04 144.48 25.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.156 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.515 ' HB1' ' CD ' ' A' ' 79' ' ' GLN . . . -87.12 156.44 19.71 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.688 0.28 . . . . 0.0 111.569 -174.456 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -64.4 -92.84 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.229 -174.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.3 tp -152.2 -75.7 0.13 Allowed 'General case' 0 C--O 1.234 0.24 0 O-C-N 121.838 -0.539 . . . . 0.0 111.881 -177.264 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -61.57 -29.38 69.98 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 123.14 0.576 . . . . 0.0 111.582 -175.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.772 HE21 HD12 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -52.25 -27.95 16.85 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -177.427 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.8 t -50.9 -34.95 30.53 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 123.342 0.401 . . . . 0.0 111.287 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -63.21 -51.6 65.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.631 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.62 -42.69 34.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.846 -175.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.772 HD12 HE21 ' A' ' 79' ' ' GLN . 47.8 mt -59.1 -44.39 91.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.833 0.349 . . . . 0.0 111.0 -178.089 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.22 -35.95 92.62 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.401 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -78.75 -35.47 44.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.982 0.42 . . . . 0.0 110.678 -177.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -45.06 -52.57 8.86 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.463 -177.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -120.85 15.16 11.72 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.526 -0.469 . . . . 0.0 111.289 -177.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 63.27 80.72 0.22 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.821 -1.081 . . . . 0.0 112.564 172.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.3 t -103.51 10.16 8.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 170.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.8 ttp180 68.8 18.79 8.56 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 114.695 -1.139 . . . . 0.0 109.627 -174.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? 60.05 78.55 0.27 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.239 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.456 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 79.2 t80 -148.81 134.46 9.65 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.085 -175.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 92' ' ' PHE . 15.5 Cg_exo -68.28 115.98 4.13 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.819 2.346 . . . . 0.0 112.408 178.472 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -161.58 -177.81 6.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.087 178.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.5 m -110.3 117.49 33.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.556 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.841 HD13 ' HB2' ' A' ' 106' ' ' ALA . 1.0 OUTLIER -91.58 137.14 32.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.794 177.853 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.594 ' HA ' HG12 ' A' ' 38' ' ' VAL . 48.2 t -96.12 122.54 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 -176.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.461 ' CE1' HD13 ' A' ' 39' ' ' ILE . 90.5 m-85 -122.46 104.48 9.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.031 -178.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.49 ' O ' ' HB2' ' A' ' 100' ' ' ASP . 82.6 p -123.9 155.65 37.71 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 172.537 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.49 ' HB2' ' O ' ' A' ' 99' ' ' THR . 15.2 m-20 69.29 14.21 8.55 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 123.293 0.37 . . . . 0.0 110.464 -177.293 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 69.74 19.84 75.33 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 -172.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -134.29 147.75 50.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.837 0.351 . . . . 0.0 110.952 -175.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.444 HD11 HD12 ' A' ' 96' ' ' LEU . 54.5 tp -69.56 122.83 19.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.987 0.422 . . . . 0.0 110.372 177.246 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.535 ' HB3' HD12 ' A' ' 123' ' ' ILE . 35.9 mmt180 -103.99 -31.31 9.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.768 -177.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 170.21 -163.91 37.24 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.567 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.841 ' HB2' HD13 ' A' ' 96' ' ' LEU . . . -149.21 162.44 40.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.549 0.174 . . . . 0.0 110.754 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.517 HD13 HD12 ' A' ' 119' ' ' LEU . 4.4 mm? -85.39 94.24 8.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.948 0.404 . . . . 0.0 111.26 179.02 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.7 m -105.35 139.2 40.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.507 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 113.65 171.2 17.58 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.898 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 56.7 mt -124.22 89.85 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.159 0.504 . . . . 0.0 109.728 177.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.656 ' HB3' ' HB3' ' A' ' 114' ' ' ALA . 5.6 m80 -147.95 148.06 28.72 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.271 -178.47 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -83.01 90.44 1.02 Allowed 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.842 2.362 . . . . 0.0 111.707 176.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 4.5 t-105 74.77 -11.87 1.0 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.311 0.644 . . . . 0.0 111.08 176.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.656 ' HB3' ' HB3' ' A' ' 111' ' ' HIS . . . -73.74 -19.07 60.9 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -176.522 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.584 ' HG3' ' HB2' ' A' ' 111' ' ' HIS . 0.0 OUTLIER -87.29 -36.57 17.82 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.468 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.442 HD23 HD11 ' A' ' 107' ' ' LEU . 45.7 mt -57.66 -37.16 72.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.863 173.339 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.67 -57.22 11.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.831 -178.242 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.9 m -69.42 -39.03 78.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.28 -176.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.517 HD12 HD13 ' A' ' 107' ' ' LEU . 90.9 mt -66.05 -40.14 90.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.718 0.294 . . . . 0.0 110.729 -179.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 55.5 ttp -58.13 -43.01 87.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.35 176.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 -58.9 -45.32 90.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.348 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 39.3 m -74.63 -44.5 50.22 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -177.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.535 HD12 ' HB3' ' A' ' 104' ' ' ARG . 43.4 mm -81.38 -42.97 20.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -171.087 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.446 HG21 ' HG3' ' A' ' 67' ' ' GLN . 15.7 m -123.41 74.36 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 122.258 1.028 . . . . 0.0 111.016 -175.482 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.3 t70 . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 114.338 -1.301 . . . . 0.0 110.955 179.797 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.5 mt . . . . . 0 C--O 1.233 0.23 0 CA-C-O 120.9 0.381 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 23.4 t-105 -66.93 -28.23 68.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.631 -176.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -55.9 -40.97 73.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.251 0.548 . . . . 0.0 110.765 177.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -66.19 -39.04 89.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.145 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 70.5 mt -69.28 -43.25 74.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.766 -178.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.3 mt -59.82 -33.02 71.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.835 177.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.0 m -70.12 -27.21 64.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.897 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.592 ' NE ' ' HA ' ' A' ' 17' ' ' ARG . 1.8 mmp_? -93.85 -1.14 55.28 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.96 13.53 46.01 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.725 -0.75 . . . . 0.0 113.595 173.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.479 ' CZ3' HG11 ' A' ' 74' ' ' VAL . 14.0 m0 -73.15 123.27 23.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 117.016 0.408 . . . . 0.0 110.68 178.499 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.461 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 64.3 tt0 -110.26 131.27 22.11 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.661 -177.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.579 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 3.5 Cg_exo -77.47 131.32 11.47 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.994 2.463 . . . . 0.0 111.95 176.311 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.407 HG21 HG13 ' A' ' 39' ' ' ILE . 10.6 m -121.89 -179.21 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.139 0.495 . . . . 0.0 112.119 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -142.81 175.96 9.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.409 -177.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.644 ' HB2' ' HA ' ' A' ' 83' ' ' ILE . . . -83.94 -21.37 31.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.07 178.193 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 m -79.8 -42.48 24.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.162 0.506 . . . . 0.0 111.022 -177.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.2 t -96.63 5.1 51.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.57 -175.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 24' ' ' ALA . 14.6 p -63.09 -40.06 87.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 120.627 0.251 . . . . 0.0 110.787 -176.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -60.59 -41.83 95.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.286 0.565 . . . . 0.0 110.599 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.533 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 28.0 t70 -77.49 -39.61 45.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.094 -175.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.486 ' O ' HG22 ' A' ' 34' ' ' VAL . 68.5 t90 -64.45 -48.25 76.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.169 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.423 HD11 ' CD1' ' A' ' 39' ' ' ILE . 30.8 mm -60.16 -47.06 93.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.931 -177.145 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.533 ' HE3' ' HA ' ' A' ' 29' ' ' ASP . 20.6 pttp -67.98 -33.13 74.04 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.308 -176.097 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.8 ttm-85 -72.96 -47.41 45.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.381 . . . . 0.0 110.956 -177.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 30' ' ' TRP . 23.6 m -81.03 -34.33 13.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.24 -177.541 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.12 -52.71 4.75 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.025 177.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -123.06 120.29 32.87 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.906 0.384 . . . . 0.0 110.004 -177.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.74 173.68 46.26 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 121.132 -0.556 . . . . 0.0 111.877 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' ' 97' ' ' VAL . 18.1 m -132.91 141.05 45.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 O-C-N 122.728 -0.278 . . . . 0.0 110.867 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.49 HD13 ' CE1' ' A' ' 98' ' ' PHE . 2.2 mp -107.8 114.68 47.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.405 ' HG ' ' OG1' ' A' ' 95' ' ' THR . 0.9 OUTLIER -96.29 118.78 33.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.484 177.843 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.0 mp -79.96 119.12 22.38 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 175.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.2 m . . . . . 0 N--CA 1.465 0.321 0 O-C-N 123.732 0.645 . . . . 0.0 111.104 -175.65 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.5 t . . . . . 0 N--CA 1.467 0.404 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.469 ' SD ' HD11 ' A' ' 107' ' ' LEU . 46.2 ttm -63.85 -43.97 94.54 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -170.161 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.423 ' H ' HD12 ' A' ' 58' ' ' ILE . 4.4 mp -56.19 -49.69 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-O 120.654 0.264 . . . . 0.0 111.376 -177.456 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.38 -42.86 95.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.23 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -69.06 -43.11 75.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.891 -177.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.412 HD13 HD13 ' A' ' 116' ' ' LEU . 16.5 tp -64.1 -40.62 96.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.048 -177.314 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 68.5 tp -48.43 -39.04 21.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.811 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.414 ' H ' ' HG3' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -106.37 20.77 18.48 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.602 -176.124 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -128.57 -19.71 3.72 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.4 112.51 15.1 Favored Pre-proline 0 N--CA 1.464 0.247 0 CA-C-O 120.794 0.33 . . . . 0.0 111.504 -176.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -96.34 13.51 1.06 Allowed 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 123.447 2.765 . . . . 0.0 112.849 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -92.21 -58.86 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.175 -177.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -155.49 169.37 24.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.955 -175.267 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -99.41 118.96 37.19 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 177.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -120.09 157.09 29.69 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.929 0.395 . . . . 0.0 110.69 177.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -91.6 129.08 37.64 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.478 -178.057 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 91.9 t -88.87 116.55 30.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.23 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -123.59 133.71 53.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.441 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.579 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 10.4 m -129.49 156.49 41.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 -178.503 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.459 ' HB1' ' HB3' ' A' ' 79' ' ' GLN . . . -120.6 153.87 36.21 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -173.341 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -66.25 162.63 19.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.834 174.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.9 tt -56.25 -40.28 73.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.973 0.416 . . . . 0.0 110.48 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -68.68 -43.6 75.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.794 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.459 ' HB3' ' HB1' ' A' ' 75' ' ' ALA . 1.6 mp0 -62.95 -30.19 71.38 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.264 178.096 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.7 m -55.47 -48.28 74.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.348 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -72.13 -33.56 67.89 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.325 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.47 -44.77 93.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.556 177.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.644 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . 67.8 mt -68.02 -40.77 83.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.246 177.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.17 -39.53 96.02 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.654 175.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -60.49 -39.6 88.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.151 0.5 . . . . 0.0 111.283 177.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.519 ' HB2' ' HB1' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -50.09 -46.37 53.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.585 179.344 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.516 ' CD1' ' HB ' ' A' ' 89' ' ' VAL . 7.6 p90 -109.98 14.0 23.19 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.5 t30 63.25 30.8 15.76 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 122.877 0.471 . . . . 0.0 111.544 172.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.516 ' HB ' ' CD1' ' A' ' 87' ' ' PHE . 98.4 t -134.59 115.9 20.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 122.091 -0.381 . . . . 0.0 110.802 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.9 ttp180 -117.43 29.92 7.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.511 0.672 . . . . 0.0 109.347 177.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -80.09 89.89 5.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.945 -178.122 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 71.35 155.3 0.15 Allowed Pre-proline 0 N--CA 1.468 0.467 0 O-C-N 123.884 0.74 . . . . 0.0 112.101 176.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -77.73 102.0 1.54 Allowed 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.571 2.181 . . . . 0.0 110.714 171.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -119.43 174.77 6.18 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.271 -175.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.405 ' OG1' ' HG ' ' A' ' 40' ' ' LEU . 12.6 m -117.5 117.06 28.42 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.745 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.4 mp -91.93 135.05 34.24 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.079 -178.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.548 ' HA ' HG12 ' A' ' 38' ' ' VAL . 48.9 t -96.79 118.31 42.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.068 -176.397 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.495 ' CE2' HD13 ' A' ' 103' ' ' LEU . 37.9 m-85 -116.23 118.0 31.59 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.56 178.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.403 ' O ' ' HB3' ' A' ' 100' ' ' ASP . 1.1 p -139.66 151.72 46.17 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.535 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 99' ' ' THR . 27.3 t70 72.23 3.7 4.77 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.851 0.834 . . . . 0.0 110.378 -177.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.29 0.83 79.57 Favored Glycine 0 N--CA 1.443 -0.887 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.969 -173.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -120.29 159.97 23.93 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 121.248 0.547 . . . . 0.0 111.704 178.21 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.495 HD13 ' CE2' ' A' ' 98' ' ' PHE . 52.6 tp -82.01 127.71 33.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.26 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.592 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 1.2 mmp_? -91.35 -41.46 10.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.56 179.005 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 161.0 -172.61 37.31 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.152 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -103.87 137.72 41.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.909 0.385 . . . . 0.0 110.84 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.469 HD11 ' SD ' ' A' ' 57' ' ' MET . 1.3 tm? -92.0 115.19 27.85 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 25.0 m -152.85 163.45 39.73 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.809 ' HA3' ' HG3' ' A' ' 115' ' ' GLU . . . -179.57 175.73 47.14 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.011 179.12 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 40.7 pt -101.64 -8.37 9.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.191 0.519 . . . . 0.0 110.74 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -110.97 143.02 27.43 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.826 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.19 -32.93 97.97 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.71 2.274 . . . . 0.0 112.196 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 16.2 t-105 -161.57 107.0 1.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.286 177.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 179.9 -34.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.279 0.561 . . . . 0.0 110.069 178.349 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.809 ' HG3' ' HA3' ' A' ' 109' ' ' GLY . 1.5 mm-40 -59.87 -30.67 69.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.247 -173.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.412 HD13 HD13 ' A' ' 61' ' ' LEU . 73.2 mt -57.4 -35.52 70.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.371 -176.632 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.23 -36.05 76.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.74 0.305 . . . . 0.0 111.49 -173.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.3 m -87.3 -40.97 14.02 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.791 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.557 ' O ' HG12 ' A' ' 123' ' ' ILE . 95.6 mt -67.62 -49.52 62.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 112.014 -175.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 62.8 mtm -58.35 -35.49 72.01 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 111.449 0.166 . . . . 0.0 111.449 -174.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -56.1 -53.9 51.5 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.902 0.382 . . . . 0.0 111.705 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.3 t -70.62 -30.34 66.97 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.117 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.557 HG12 ' O ' ' A' ' 119' ' ' LEU . 39.6 mm -70.04 -48.87 60.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.475 -178.227 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.552 HG13 HG22 ' A' ' 123' ' ' ILE . 5.3 m -133.11 75.66 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.392 0.615 . . . . 0.0 111.551 -177.012 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 13.6 t70 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.501 175.582 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.02 -171.23 0.17 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.378 -177.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -151.52 -176.81 5.75 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 177.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -67.78 -82.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 123.206 0.316 . . . . 0.0 111.364 -178.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 56.4 m 62.25 94.39 0.05 OUTLIER Pre-proline 0 CA--C 1.534 0.334 0 O-C-N 123.369 0.418 . . . . 0.0 111.029 -177.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -62.82 94.78 0.15 Allowed 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.684 2.256 . . . . 0.0 112.396 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 12.2 t80 63.13 -152.49 0.33 Allowed 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.203 176.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.5 m 69.72 -83.92 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.268 0.627 . . . . 0.0 111.872 176.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.08 -31.1 70.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.961 0.41 . . . . 0.0 111.303 -174.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.95 -29.41 70.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.032 -178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -60.64 -38.98 86.61 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.949 -177.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -68.31 -41.73 80.45 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.201 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -74.67 -31.31 61.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.46 -176.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.467 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.6 pp -74.71 -30.68 61.62 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.267 0.556 . . . . 0.0 110.073 177.235 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.467 ' N ' HD12 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -60.21 -25.71 65.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.992 -1.003 . . . . 0.0 110.391 175.692 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.3 m -64.08 -26.31 68.49 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.023 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -142.15 102.26 4.08 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.126 0.788 . . . . 0.0 113.126 -175.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.14 -37.81 3.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.96 -0.638 . . . . 0.0 113.586 168.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.637 ' HH2' ' HB2' ' A' ' 55' ' ' PRO . 12.6 m95 -92.29 140.63 29.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.018 0.437 . . . . 0.0 111.491 -176.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.465 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 35.9 tt0 -151.69 127.9 5.17 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.615 176.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.626 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 3.0 Cg_exo -74.64 116.74 4.7 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.568 2.179 . . . . 0.0 111.497 178.023 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.482 ' CG1' ' HB1' ' A' ' 73' ' ' ALA . 16.6 m -109.37 -170.39 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.742 -176.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.509 ' HB2' HG22 ' A' ' 26' ' ' THR . 32.0 mt-10 -141.92 -170.44 3.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.148 -171.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.455 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -106.29 -50.59 3.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.586 0.232 . . . . 0.0 111.605 -177.089 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.5 m -72.09 1.21 7.8 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -175.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.509 HG22 ' HB2' ' A' ' 23' ' ' GLU . 9.7 t -137.08 13.58 3.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.814 0.34 . . . . 0.0 110.884 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 24' ' ' ALA . 10.8 p -73.14 -35.13 46.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.598 -177.243 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.25 -48.8 67.93 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.178 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -68.61 -35.0 76.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -177.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.444 ' O ' HG22 ' A' ' 34' ' ' VAL . 81.8 t90 -62.09 -49.43 75.98 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.043 0.449 . . . . 0.0 110.084 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 48.6 mt -61.78 -43.28 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.344 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 tmmm? -62.45 -38.45 89.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.724 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -68.14 -46.27 71.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.006 -173.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 30' ' ' TRP . 33.9 m -93.29 -42.28 13.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.56 -175.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.79 6.38 67.02 Favored Glycine 0 CA--C 1.516 0.11 0 CA-C-N 116.295 -0.411 . . . . 0.0 113.137 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.414 ' H ' HG23 ' A' ' 34' ' ' VAL . 24.4 t70 -160.75 104.33 1.37 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -175.102 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.546 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . 167.79 -174.63 42.79 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.611 -178.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.581 HG12 ' HA ' ' A' ' 97' ' ' VAL . 27.1 m -135.18 148.75 28.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.507 0.194 . . . . 0.0 110.926 -177.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 mp -109.16 120.46 60.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 172.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 tt -95.44 118.71 32.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.762 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.557 HD13 HD23 ' A' ' 96' ' ' LEU . 10.5 mp -81.52 139.73 34.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.264 178.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.432 ' HB2' ' HB2' ' A' ' 80' ' ' SER . 5.1 m -59.92 146.64 41.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.008 178.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.964 ' HA ' ' HB3' ' A' ' 93' ' ' PRO . 15.1 m -59.88 103.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -176.05 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.35 156.04 77.81 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.501 169.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -46.35 103.98 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.249 2.632 . . . . 0.0 112.883 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.427 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -99.29 0.69 43.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.466 -175.685 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.427 ' HB2' ' O ' ' A' ' 46' ' ' ARG . 93.2 mtt180 68.51 -171.85 0.18 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.22 -171.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 45.9 m 69.66 97.81 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 O-C-N 123.629 0.581 . . . . 0.0 109.94 -175.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -60.66 137.32 72.58 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.641 2.227 . . . . 0.0 112.195 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 64.21 -167.94 0.21 Allowed 'General case' 0 N--CA 1.463 0.202 0 O-C-N 123.795 0.685 . . . . 0.0 111.404 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.9 t 59.87 77.2 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-O 121.376 0.608 . . . . 0.0 111.068 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.5 m -72.24 120.54 17.99 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.245 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -63.49 129.0 38.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.977 177.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.492 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 49.8 m-80 -79.79 123.41 83.88 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.673 -177.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.637 ' HB2' ' HH2' ' A' ' 19' ' ' TRP . 5.7 Cg_exo -78.97 10.14 3.04 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 123.355 2.704 . . . . 0.0 112.039 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.1 t -66.69 -26.39 37.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.28 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.8 mtt -56.62 -37.26 70.47 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.479 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.6 mp -65.86 -41.31 89.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-O 121.062 0.458 . . . . 0.0 109.932 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.496 ' O ' ' HD3' ' A' ' 63' ' ' ARG . . . -65.66 -36.16 82.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.209 177.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.587 ' HA ' ' NH1' ' A' ' 63' ' ' ARG . 8.3 tp10 -62.06 -54.26 43.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.671 176.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -53.73 -44.41 69.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.588 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.508 HD13 HG23 ' A' ' 72' ' ' VAL . 55.3 tp -47.94 -47.86 32.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.063 -178.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.587 ' NH1' ' HA ' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -83.53 -26.3 30.26 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -177.586 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.416 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 6.0 mm-40 -81.98 1.85 33.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.807 0.336 . . . . 0.0 111.326 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -97.77 105.57 27.86 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.253 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 96.5 Cg_endo -90.43 -0.34 5.3 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 122.961 2.441 . . . . 0.0 113.286 -176.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.1 -68.92 0.45 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -177.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.632 ' HD1' ' H ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -137.51 163.44 31.13 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.09 -177.288 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -102.26 80.17 1.93 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.537 -174.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.546 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -89.29 167.01 13.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.046 179.72 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -115.75 143.63 45.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.599 -175.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.508 HG23 HD13 ' A' ' 62' ' ' LEU . 64.6 t -103.06 101.73 12.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.333 0.587 . . . . 0.0 111.166 -176.057 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.482 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -96.17 126.19 41.21 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.449 176.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.626 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 29.5 m -118.89 148.88 21.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-O 120.846 0.355 . . . . 0.0 111.085 -174.009 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.583 ' HB1' ' HB2' ' A' ' 79' ' ' GLN . . . -95.76 139.24 32.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.077 176.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.429 ' OD1' HD22 ' A' ' 77' ' ' LEU . 5.7 t70 -61.97 -71.67 0.15 Allowed 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.433 0.458 . . . . 0.0 110.829 -175.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.546 ' HG ' ' N ' ' A' ' 78' ' ' GLU . 2.3 pt? -154.52 -65.31 0.13 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.726 174.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.546 ' N ' ' HG ' ' A' ' 77' ' ' LEU . 40.1 tt0 -65.36 -32.5 74.17 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.062 0.458 . . . . 0.0 110.927 -177.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.583 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . 14.2 mm-40 -54.83 -30.0 56.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.381 -177.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.432 ' HB2' ' HB2' ' A' ' 42' ' ' SER . 17.7 t -56.23 -40.55 74.27 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.567 -176.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.828 ' HA ' ' HD3' ' A' ' 90' ' ' ARG . 35.6 tt0 -63.2 -47.46 82.49 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.726 -176.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.45 -43.64 85.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.954 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 67.8 mt -65.4 -49.1 80.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.544 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.562 ' HA3' ' HB2' ' A' ' 90' ' ' ARG . . . -65.59 -32.09 82.13 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.834 -178.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -71.15 -39.68 71.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.197 0.523 . . . . 0.0 110.198 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -49.51 -40.13 36.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.702 -1.135 . . . . 0.0 112.619 -175.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.446 ' HD1' HG23 ' A' ' 89' ' ' VAL . 2.0 p90 -123.14 14.82 9.82 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 59.5 t30 56.75 73.77 0.44 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.562 -0.744 . . . . 0.0 112.072 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.662 HG21 HD11 ' A' ' 96' ' ' LEU . 79.5 t -136.76 -17.31 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.274 176.025 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.828 ' HD3' ' HA ' ' A' ' 81' ' ' GLU . 53.1 ttp85 -63.71 117.98 7.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.121 0.486 . . . . 0.0 111.019 -175.023 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -178.0 -35.45 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -150.94 152.14 31.13 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 114.815 -1.084 . . . . 0.0 108.962 176.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.964 ' HB3' ' HA ' ' A' ' 43' ' ' SER . 15.6 Cg_endo -58.63 114.77 2.13 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.652 2.235 . . . . 0.0 111.947 179.128 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.81 163.8 32.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.3 m -118.79 124.08 46.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.038 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.743 HD13 ' HB2' ' A' ' 106' ' ' ALA . 1.9 mm? -89.58 133.77 34.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.697 0.284 . . . . 0.0 110.31 -176.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.581 ' HA ' HG12 ' A' ' 38' ' ' VAL . 42.1 t -98.58 114.84 37.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.676 -175.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -108.56 101.25 10.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.242 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.403 HG23 HG12 ' A' ' 97' ' ' VAL . 24.7 p -112.66 138.15 49.88 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.968 -178.066 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.7 t70 70.88 12.49 7.11 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.676 0.61 . . . . 0.0 110.279 -178.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.07 5.26 86.06 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.969 -174.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -122.35 147.02 46.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.159 0.504 . . . . 0.0 111.609 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.41 HD11 HD12 ' A' ' 96' ' ' LEU . 55.8 tp -77.28 123.28 26.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.835 176.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.6 ' HA ' ' NE ' ' A' ' 104' ' ' ARG . 4.1 mmp_? -119.88 -40.89 2.7 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -178.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -150.51 -171.21 18.55 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.062 -1.066 . . . . 0.0 112.605 -177.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.743 ' HB2' HD13 ' A' ' 96' ' ' LEU . . . -154.08 147.4 24.88 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.811 0.338 . . . . 0.0 110.564 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -98.98 120.32 39.23 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.72 ' HB2' HD13 ' A' ' 110' ' ' ILE . 10.5 p -91.12 -39.94 11.87 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -173.046 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 82.22 36.91 16.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.112 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.72 HD13 ' HB2' ' A' ' 108' ' ' SER . 1.7 mp -93.17 -39.75 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -116.18 101.18 53.92 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 177.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -44.1 109.3 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 124.118 3.212 . . . . 0.0 114.07 -172.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.756 ' HA ' HD12 ' A' ' 116' ' ' LEU . 6.3 t-105 72.0 -37.76 0.4 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 114.691 -1.141 . . . . 0.0 112.924 173.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.13 -36.23 67.99 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.796 0.331 . . . . 0.0 111.83 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -77.9 -18.07 56.57 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.86 -177.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.756 HD12 ' HA ' ' A' ' 113' ' ' TRP . 24.7 mt -63.72 -37.26 86.7 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 175.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.512 ' O ' ' HB2' ' A' ' 121' ' ' ARG . 79.7 mt -71.7 -41.92 68.02 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.157 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.0 m -81.98 -44.09 17.16 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -175.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 86.3 mt -73.42 -48.93 29.88 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 122.381 -0.2 . . . . 0.0 111.514 -175.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 25.8 mmt -64.49 -31.25 72.39 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.185 -0.206 . . . . 0.0 111.02 -177.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.512 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 2.9 tmt_? -58.97 -35.89 73.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.355 0.598 . . . . 0.0 109.97 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 26.3 t -76.31 -30.63 57.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 62.8 mt -83.29 -46.3 18.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.133 0.492 . . . . 0.0 110.81 -176.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.1 m -125.98 87.4 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-O 121.991 0.9 . . . . 0.0 109.332 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -48.55 -28.99 3.76 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 113.966 -1.47 . . . . 0.0 111.991 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 22.4 m -61.37 126.83 87.28 Favored Pre-proline 0 CA--C 1.534 0.362 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.698 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -48.2 122.71 7.87 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 123.682 2.921 . . . . 0.0 112.95 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -100.84 -57.09 2.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.407 -172.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -144.38 164.12 31.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.83 -0.168 . . . . 0.0 110.963 -173.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.43 ' O ' ' HB2' ' A' ' 131' ' ' GLU . 60.0 mt-30 -139.94 90.25 2.37 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.703 ' HG2' ' H ' ' A' ' 132' ' ' THR . 28.3 tt0 177.72 173.31 0.56 Allowed 'General case' 0 C--O 1.236 0.381 0 O-C-N 123.618 0.574 . . . . 0.0 109.683 171.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.703 ' H ' ' HG2' ' A' ' 131' ' ' GLU . 20.7 m 74.48 -70.35 0.16 Allowed 'General case' 0 C--O 1.233 0.202 0 O-C-N 123.805 0.691 . . . . 0.0 111.312 175.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 34.4 t 52.05 77.42 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 121.278 0.561 . . . . 0.0 110.752 -176.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 121.097 0.475 . . . . 0.0 110.096 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.9 102.37 14.48 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.202 -176.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.465 ' HB3' ' HG3' ' A' ' 6' ' ' PRO . 57.0 m-80 -142.88 129.28 20.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.792 176.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -88.44 -63.83 1.24 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.74 0.305 . . . . 0.0 110.571 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.5 m -154.85 89.39 3.15 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 175.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.465 ' HG3' ' HB3' ' A' ' 3' ' ' ASN . 1.1 Cg_endo -84.01 105.15 1.12 Allowed 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.996 2.464 . . . . 0.0 112.92 -176.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 55.26 30.71 15.17 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 170.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.3 m 58.84 32.25 22.05 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 123.281 0.363 . . . . 0.0 111.644 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.03 -28.37 24.12 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.071 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.54 -40.39 87.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.094 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.524 ' HZ3' HD11 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -64.99 -32.58 74.38 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-O 121.171 0.51 . . . . 0.0 109.961 -179.583 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -78.08 -38.89 43.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.045 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -73.89 -28.63 61.65 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -176.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.42 HD21 ' HA ' ' A' ' 11' ' ' TRP . 4.4 pp -69.79 -26.91 64.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.379 0.609 . . . . 0.0 110.04 176.037 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.524 HD11 ' HZ3' ' A' ' 11' ' ' TRP . 86.2 mt -74.25 -27.59 60.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.995 175.123 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 43.6 m -56.45 -43.01 79.1 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.394 -176.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -163.47 106.97 1.01 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.816 178.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.16 -64.77 0.58 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.508 -0.853 . . . . 0.0 113.069 175.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -91.58 167.36 12.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.218 0.532 . . . . 0.0 111.076 -173.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.407 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 26.8 tt0 -156.85 135.79 7.89 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.299 176.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.75 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 11.8 Cg_exo -72.65 124.74 10.0 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.342 2.028 . . . . 0.0 111.264 176.439 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.514 HG13 ' HB1' ' A' ' 73' ' ' ALA . 14.6 m -93.42 -177.38 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.36 -178.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.577 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -141.93 -170.02 3.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.094 -175.349 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.434 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -107.72 -36.0 6.53 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.179 0.514 . . . . 0.0 110.19 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.9 m -69.41 -28.45 66.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.885 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.8 t -120.48 15.92 12.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.519 -175.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.577 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 13.9 p -69.38 -35.57 67.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-O 120.904 0.383 . . . . 0.0 110.406 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -65.66 -47.24 76.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.676 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -60.17 -41.88 93.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.544 178.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.464 ' O ' HG22 ' A' ' 34' ' ' VAL . 33.4 t90 -63.9 -49.51 72.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.645 -178.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.496 HD11 ' CD1' ' A' ' 39' ' ' ILE . 29.6 mm -63.47 -39.69 86.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.91 0.386 . . . . 0.0 110.951 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.417 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -63.26 -32.82 74.32 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.667 177.173 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.22 -45.78 17.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.201 -176.029 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 30' ' ' TRP . 34.5 m -85.1 -41.43 15.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -175.341 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.15 -45.25 2.76 Favored Glycine 0 C--N 1.329 0.186 0 C-N-CA 121.443 -0.408 . . . . 0.0 112.641 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -122.99 104.41 9.21 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.764 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . -166.81 -165.69 24.64 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.805 -177.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 96' ' ' LEU . 2.4 p -155.14 139.89 9.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.225 0.536 . . . . 0.0 111.503 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.496 ' CD1' HD11 ' A' ' 31' ' ' ILE . 1.9 mp -109.01 115.8 50.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.757 177.094 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.542 ' HB3' HG23 ' A' ' 74' ' ' VAL . 2.7 tt -79.12 108.24 12.47 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 174.525 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.591 ' HB3' ' H ' ' A' ' 94' ' ' ALA . 9.7 tp -72.23 128.71 36.52 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.7 -177.166 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.591 ' HB2' ' HB3' ' A' ' 93' ' ' PRO . 21.6 m 56.97 -124.42 1.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.914 -177.319 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.9 t -179.77 -68.98 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -114.58 139.27 23.8 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.354 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -71.52 -22.79 24.17 Favored 'Trans proline' 0 CA--C 1.527 0.128 0 C-N-CA 122.489 2.126 . . . . 0.0 111.157 175.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.407 ' HG2' ' H ' ' A' ' 47' ' ' ARG . 36.4 ttm-85 178.23 -133.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.407 ' H ' ' HG2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -86.13 39.09 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 118.069 0.395 . . . . 0.0 109.994 176.728 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 37.9 m 23.24 91.17 0.05 OUTLIER Pre-proline 0 N--CA 1.473 0.698 0 C-N-CA 125.142 1.377 . . . . 0.0 114.284 172.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -79.8 43.87 1.6 Allowed 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 122.95 2.433 . . . . 0.0 113.128 -174.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.423 ' O ' ' HB ' ' A' ' 51' ' ' VAL . 9.4 pt-20 -153.19 28.76 0.5 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.756 178.166 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.423 ' HB ' ' O ' ' A' ' 50' ' ' GLU . 89.0 t 76.96 147.07 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.267 175.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.5 m 79.74 149.51 0.1 Allowed 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.977 0.911 . . . . 0.0 111.725 177.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -124.44 32.33 5.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.876 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.45 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 24.6 t-20 -153.89 135.55 8.98 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.011 -177.171 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 54' ' ' ASN . 11.9 Cg_exo -71.8 59.36 2.78 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 123.345 2.696 . . . . 0.0 112.508 178.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.9 m -57.49 -28.51 31.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.598 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 95.4 mmm -53.17 -34.62 57.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.133 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 58' ' ' ILE . 2.9 mp -71.94 -32.78 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.93 0.395 . . . . 0.0 110.292 -179.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.52 -32.18 70.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.074 0.464 . . . . 0.0 110.19 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.59 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.9 tp10 -71.17 -43.68 67.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.343 174.109 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.0 tp -53.7 -41.91 67.46 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.891 177.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 63.8 tp -48.58 -47.43 39.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.951 -1.022 . . . . 0.0 112.322 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.59 ' HD3' ' OE1' ' A' ' 60' ' ' GLU . 0.8 OUTLIER -82.56 -25.84 32.95 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.212 -178.112 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.44 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 6.7 mm-40 -79.11 -10.56 59.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.443 ' HD1' ' HB2' ' A' ' 67' ' ' GLN . 0.1 OUTLIER -106.87 97.12 16.39 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.028 -178.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 96.8 Cg_endo -89.19 9.49 3.52 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.812 2.342 . . . . 0.0 111.726 178.016 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.443 ' HB2' ' HD1' ' A' ' 65' ' ' PHE . 14.4 mm100 -89.27 -22.3 22.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.088 -174.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -134.25 159.78 39.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.259 0.552 . . . . 0.0 112.174 -173.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.65 22.96 13.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.991 -1.004 . . . . 0.0 108.366 171.343 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.764 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -54.57 154.63 4.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.07 -1.423 . . . . 0.0 114.007 -172.49 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -92.18 119.79 32.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.668 173.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 45.3 t -84.99 129.52 37.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.015 0.436 . . . . 0.0 110.899 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.514 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -134.46 159.4 41.22 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.673 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.75 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 7.2 p -136.04 150.09 27.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 -179.009 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.34 169.57 16.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.99 0.424 . . . . 0.0 111.535 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -82.72 23.25 0.82 Allowed 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.49 0.662 . . . . 0.0 110.592 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 54.9 tp 76.74 -60.1 0.48 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.393 1.077 . . . . 0.0 111.439 176.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -77.64 -45.73 24.16 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.956 0.408 . . . . 0.0 110.34 -176.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.551 ' HG2' ' HG2' ' A' ' 23' ' ' GLU . 4.1 tp-100 -54.67 -24.68 22.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.985 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.562 ' OG ' ' HG ' ' A' ' 41' ' ' LEU . 43.3 t -51.1 -36.81 42.25 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.96 178.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -62.35 -43.36 99.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.69 0.281 . . . . 0.0 110.745 -177.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.03 -33.0 74.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.847 177.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.412 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 65.7 mt -68.44 -49.55 64.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.345 177.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.54 ' HA2' ' CE1' ' A' ' 87' ' ' PHE . . . -63.87 -29.95 76.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.049 178.153 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -68.11 -38.88 82.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.166 0.508 . . . . 0.0 110.73 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.459 ' HA ' ' HE ' ' A' ' 86' ' ' ARG . 2.9 tpm_? -49.7 -48.47 49.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.876 -179.372 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.54 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 2.6 p90 -107.05 -0.85 22.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.623 0.249 . . . . 0.0 111.212 -178.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 50.28 69.21 0.65 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.591 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 91.6 t -130.55 94.87 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.316 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.2 mmm-85 59.94 -163.87 0.23 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.154 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 68.1 ttt180 -150.97 30.95 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.587 0.708 . . . . 0.0 109.398 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -128.58 154.21 79.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.508 -176.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.591 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 15.4 Cg_endo -57.94 119.79 7.27 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.923 2.416 . . . . 0.0 112.6 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.591 ' H ' ' HB3' ' A' ' 41' ' ' LEU . . . -145.3 172.45 13.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.981 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 35.0 m -114.04 115.62 27.88 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.515 ' O ' HG23 ' A' ' 38' ' ' VAL . 5.3 mp -105.49 127.22 52.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.87 0.367 . . . . 0.0 110.558 -178.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 81.7 t -89.75 116.87 31.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.928 -178.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.427 ' CZ ' HD13 ' A' ' 103' ' ' LEU . 45.3 m-85 -112.61 94.88 5.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.835 178.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 40.5 p -131.7 151.17 51.84 Favored 'General case' 0 C--N 1.311 -1.071 0 C-N-CA 120.881 -0.327 . . . . 0.0 110.215 -176.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.1 t70 69.7 9.4 7.17 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.776 0.673 . . . . 0.0 110.457 -177.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.77 1.8 84.9 Favored Glycine 0 N--CA 1.443 -0.847 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.454 -174.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -115.42 148.13 39.73 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 117.094 0.447 . . . . 0.0 111.809 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.445 HD11 ' HB3' ' A' ' 96' ' ' LEU . 43.1 tp -77.26 102.01 6.5 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 169.42 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.445 HH11 ' HD3' ' A' ' 104' ' ' ARG . 10.6 mmm180 -74.53 -28.31 60.91 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.929 -174.118 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 153.08 177.71 26.92 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.392 -0.909 . . . . 0.0 112.547 178.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.472 ' HB2' ' HG ' ' A' ' 96' ' ' LEU . . . -117.86 138.55 52.03 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.831 0.348 . . . . 0.0 110.433 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -104.31 129.51 52.17 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.102 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.4 p -95.86 3.98 53.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.174 0.511 . . . . 0.0 111.527 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -80.44 71.4 2.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.874 177.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 15.3 tt -71.32 -26.93 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -175.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.69 ' HB3' ' HD3' ' A' ' 112' ' ' PRO . 7.0 t-160 -145.01 -54.06 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.487 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.379 -177.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.69 ' HD3' ' HB3' ' A' ' 111' ' ' HIS . 17.0 Cg_exo -67.96 127.0 15.34 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 122.055 1.836 . . . . 0.0 111.648 177.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -98.67 95.28 7.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.036 0.446 . . . . 0.0 110.391 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -147.88 -56.66 0.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.619 176.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -67.35 -25.98 66.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.078 -175.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 20.1 mt -54.33 -36.56 63.9 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.97 -178.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 117' ' ' LEU . 1.4 tm? -66.91 -49.22 66.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.938 0.399 . . . . 0.0 110.095 -177.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 24.6 m -71.29 -41.83 69.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.234 -177.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.63 -40.49 88.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.936 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 43.6 ttm -56.06 -41.46 75.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.624 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 21.2 ttm-85 -54.99 -51.21 66.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.158 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.3 m -75.41 -45.53 38.34 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.332 -177.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 74.6 mt -68.26 -49.25 68.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -173.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.544 ' HB ' ' HG3' ' A' ' 127' ' ' PRO . 19.6 m -115.44 45.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.516 0.674 . . . . 0.0 110.869 -178.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -52.59 -57.02 11.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.487 173.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 55.3 m -121.19 90.65 47.57 Favored Pre-proline 0 N--CA 1.447 -0.614 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.555 175.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.544 ' HG3' ' HB ' ' A' ' 124' ' ' VAL . 23.7 Cg_endo -96.76 -78.07 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.062 0 C-N-CA 123.273 2.648 . . . . 0.0 110.785 168.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -145.47 78.14 1.54 Allowed 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 171.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . 71.72 159.52 0.21 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.246 -173.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -146.87 101.22 3.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.127 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -141.69 148.69 39.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.706 -0.225 . . . . 0.0 111.037 -175.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 24.7 m 76.47 -27.23 0.18 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.08 0.552 . . . . 0.0 112.432 172.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 13.5 p -63.34 -26.59 41.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-O 120.834 0.35 . . . . 0.0 111.652 -177.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 121.28 0.562 . . . . 0.0 110.467 -178.711 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.86 79.69 0.25 Allowed 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.408 0.623 . . . . 0.0 110.059 -175.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -138.45 -161.52 1.19 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.657 -176.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -54.66 112.69 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.026 0.441 . . . . 0.0 111.186 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 m -111.06 122.4 38.03 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.484 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.8 141.94 80.62 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.638 2.225 . . . . 0.0 111.498 176.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 40.6 t80 66.14 33.34 7.5 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.786 0.803 . . . . 0.0 110.18 -178.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.0 m -149.48 40.55 0.85 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.017 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.85 -58.0 3.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.959 0.409 . . . . 0.0 110.711 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.459 ' HG ' ' HB3' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -77.32 -30.42 54.04 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 177.295 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -54.75 -40.39 69.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.009 175.136 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -69.4 -34.12 74.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.738 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -64.12 -28.23 69.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.077 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.8 mt -64.07 -37.02 85.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.432 177.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mp -64.87 -24.23 67.47 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.538 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.9 m -64.69 -25.84 68.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.253 0.549 . . . . 0.0 110.279 175.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.477 ' NE ' ' HA ' ' A' ' 17' ' ' ARG . 6.9 mmp_? -106.89 -133.95 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.605 178.058 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.13 -124.83 1.9 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.74 175.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.5 m95 64.21 112.3 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.735 0.779 . . . . 0.0 111.617 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.95 106.98 59.73 Favored Pre-proline 0 C--N 1.317 -0.839 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.932 -178.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.644 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 31.1 Cg_exo -61.82 109.72 0.84 Allowed 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 122.868 2.379 . . . . 0.0 111.844 174.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.7 m -98.75 -173.66 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.88 -174.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -144.03 168.33 20.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.581 -173.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.85 -23.9 31.12 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 168.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.3 m -71.69 -23.89 61.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.155 -0.929 . . . . 0.0 111.064 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.9 p -127.07 16.1 7.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.647 -177.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.9 p -64.3 -40.38 88.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.669 0.271 . . . . 0.0 110.929 -176.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -69.66 -30.1 67.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.241 0.543 . . . . 0.0 110.186 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -78.51 -44.26 24.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.931 -177.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.441 ' CZ2' ' HB2' ' A' ' 73' ' ' ALA . 68.0 t90 -59.87 -51.42 69.8 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.772 -178.183 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.9 mt -57.62 -39.69 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 121.132 0.491 . . . . 0.0 110.593 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.476 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -64.29 -35.41 80.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.457 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -80.21 -45.44 18.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.804 0.335 . . . . 0.0 110.929 -176.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 30' ' ' TRP . 33.6 m -76.03 -41.71 38.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.311 -174.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.32 -50.65 4.36 Favored Glycine 0 N--CA 1.451 -0.31 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 -177.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -127.01 142.0 51.65 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.476 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . 160.52 -163.04 33.81 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.419 178.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 96' ' ' LEU . 1.8 p -154.2 137.48 7.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.977 0.417 . . . . 0.0 111.779 -176.363 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.527 HD13 ' CE1' ' A' ' 98' ' ' PHE . 2.3 mp -103.47 120.31 53.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.676 176.412 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.462 HD22 ' O ' ' A' ' 42' ' ' SER . 0.5 OUTLIER -89.77 116.16 27.66 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.692 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.452 HD12 HG22 ' A' ' 39' ' ' ILE . 10.4 mp -80.63 100.5 8.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.575 0.226 . . . . 0.0 110.891 179.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.462 ' O ' HD22 ' A' ' 40' ' ' LEU . 58.3 m 59.77 174.5 0.08 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.565 -178.462 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.449 ' O ' ' HD3' ' A' ' 45' ' ' PRO . 21.8 m -91.76 67.38 5.35 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.318 177.13 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -98.64 108.38 47.98 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.367 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.449 ' HD3' ' O ' ' A' ' 43' ' ' SER . 66.4 Cg_endo -105.0 9.53 0.25 Allowed 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 123.656 2.904 . . . . 0.0 113.503 178.485 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? 61.2 -157.87 0.33 Allowed 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 -169.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -105.48 106.41 16.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.456 0.646 . . . . 0.0 110.534 175.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 61.6 m -144.23 141.57 18.41 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.273 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.445 ' O ' ' HB2' ' A' ' 50' ' ' GLU . 80.1 Cg_exo -46.49 155.61 0.71 Allowed 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.916 2.41 . . . . 0.0 112.766 175.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 49' ' ' PRO . 47.3 mt-10 69.24 -148.65 0.11 Allowed 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.704 0.627 . . . . 0.0 109.474 -171.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.448 HG13 ' O ' ' A' ' 54' ' ' ASN . 96.1 t 67.81 96.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 O-C-N 123.631 0.582 . . . . 0.0 111.58 177.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.1 m -84.7 -64.86 1.08 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 175.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -145.25 18.11 1.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.815 0.817 . . . . 0.0 109.157 174.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.459 ' HB3' ' HG ' ' A' ' 10' ' ' LEU . 4.5 p-10 -107.73 151.49 41.14 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.18 -174.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -83.12 162.78 15.47 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 122.486 2.124 . . . . 0.0 111.975 174.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.428 ' O ' ' HB3' ' A' ' 57' ' ' MET . 29.5 m -134.07 165.98 30.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.897 177.478 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.428 ' HB3' ' O ' ' A' ' 56' ' ' VAL . 46.2 ttm 74.82 -48.39 0.64 Allowed 'General case' 0 N--CA 1.471 0.602 0 O-C-N 123.83 0.706 . . . . 0.0 111.734 177.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.416 HD13 HD11 ' A' ' 40' ' ' LEU . 53.6 mt -58.53 -49.4 82.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.6 -178.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 63' ' ' ARG . . . -64.69 -47.03 79.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.076 -177.122 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -57.87 -49.33 77.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.221 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.9 tp -52.96 -51.22 62.19 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.713 0.768 . . . . 0.0 111.046 178.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.528 ' HG ' ' NE1' ' A' ' 70' ' ' TRP . 9.8 mp -71.12 -15.08 62.49 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.598 -1.183 . . . . 0.0 112.361 -174.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 59' ' ' ALA . 23.9 mtp180 -87.31 -43.48 12.13 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.791 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -92.56 13.2 20.53 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.347 -177.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.461 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 1.3 t80 -81.79 103.8 2.52 Favored Pre-proline 0 C--N 1.33 -0.257 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 172.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 65' ' ' PHE . 2.5 Cg_endo -80.77 -5.11 13.08 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.975 2.45 . . . . 0.0 113.214 -170.211 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.93 -27.13 16.54 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.394 -174.337 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.589 ' HZ ' HG11 ' A' ' 124' ' ' VAL . 90.7 m-85 -134.95 145.1 47.84 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -173.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -117.37 65.7 0.73 Allowed 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 164.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.528 ' NE1' ' HG ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -79.25 162.94 25.35 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.545 -172.557 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -90.05 122.98 33.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.313 -176.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.5 HG22 HD23 ' A' ' 62' ' ' LEU . 14.3 t -91.7 124.94 44.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.264 -173.369 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.441 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . . . -116.22 148.58 40.28 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.277 177.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.644 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 8.5 p -139.35 142.66 32.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.78 0.324 . . . . 0.0 110.517 -178.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.518 ' HB1' ' HB2' ' A' ' 79' ' ' GLN . . . -108.67 153.4 23.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.266 177.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.07 -96.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.363 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.0 mt -133.71 -52.43 0.86 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.178 -0.327 . . . . 0.0 110.806 -177.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -76.61 -32.91 58.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.023 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.518 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . 84.0 mm-40 -63.52 -39.42 94.38 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 112.179 -175.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.439 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . 31.9 p -54.72 -51.53 65.32 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -175.066 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -67.95 -33.43 74.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.729 0.3 . . . . 0.0 110.778 -177.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.76 -40.09 88.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.931 0.396 . . . . 0.0 110.42 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 81.3 mt -66.93 -37.7 79.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.304 0.573 . . . . 0.0 109.908 174.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.492 ' HA2' HG23 ' A' ' 89' ' ' VAL . . . -65.17 -27.83 72.82 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.337 177.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -75.48 -34.5 60.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.077 0.465 . . . . 0.0 110.158 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 -47.03 -40.38 14.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.706 -1.133 . . . . 0.0 112.452 -175.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.575 ' CE1' HG22 ' A' ' 89' ' ' VAL . 49.3 p90 -131.2 4.64 4.41 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.887 177.196 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 64.99 82.12 0.19 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.313 175.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.575 HG22 ' CE1' ' A' ' 87' ' ' PHE . 16.7 t -69.12 -82.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.94 177.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.428 ' O ' ' HB2' ' A' ' 91' ' ' ARG . 10.0 tpp180 -162.08 9.87 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.012 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.428 ' HB2' ' O ' ' A' ' 90' ' ' ARG . 30.7 mmt180 66.07 29.16 10.14 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.586 -173.05 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.417 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 72.2 m-85 -135.33 146.8 59.44 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.925 176.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 92' ' ' PHE . 14.4 Cg_exo -69.38 137.77 37.39 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.858 2.372 . . . . 0.0 111.938 177.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -152.21 -176.91 5.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.67 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.569 ' HB ' ' HB2' ' A' ' 107' ' ' LEU . 3.7 m -116.65 115.23 25.28 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.326 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 38' ' ' VAL . 50.4 mt -98.93 128.54 45.12 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.768 0.285 . . . . 0.0 111.768 -171.042 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 57.8 t -96.91 124.89 49.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.06 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.527 ' CE1' HD13 ' A' ' 39' ' ' ILE . 93.5 m-85 -121.14 126.95 51.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.025 0.44 . . . . 0.0 110.854 -178.328 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.1 p -142.64 142.55 32.1 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.683 176.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 65.34 20.32 11.8 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.782 0.325 . . . . 0.0 110.987 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.94 14.56 75.97 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.95 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -123.49 150.08 44.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.643 0.258 . . . . 0.0 110.819 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.417 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 58.7 tp -81.02 119.41 23.48 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 177.314 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.519 ' HG2' HG23 ' A' ' 123' ' ' ILE . 0.5 OUTLIER -96.99 -26.26 15.08 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.563 -177.125 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 165.62 -170.32 40.41 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.268 -0.968 . . . . 0.0 112.579 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.417 ' HB2' HD23 ' A' ' 96' ' ' LEU . . . -140.94 146.69 37.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.85 0.357 . . . . 0.0 110.903 -178.162 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.569 ' HB2' ' HB ' ' A' ' 95' ' ' THR . 4.0 mm? -78.42 106.35 10.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.58 178.116 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.4 m -93.89 98.52 11.11 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.723 175.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -76.05 67.16 2.44 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.749 -177.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 39.1 pt -116.68 2.23 7.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.021 0.439 . . . . 0.0 110.47 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -144.03 151.62 52.82 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.093 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -71.31 -179.72 3.83 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 123.078 2.518 . . . . 0.0 112.808 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 3.7 t-105 -70.05 101.11 1.74 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.528 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -173.08 -47.4 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.345 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -75.22 -1.66 24.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.14 -176.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 47.4 mt -59.55 -35.09 73.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.694 176.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.25 -41.91 94.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.187 -179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 30.8 m -80.07 -43.56 21.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.105 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.33 -48.6 74.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.833 -176.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.527 ' HE2' ' HA ' ' A' ' 120' ' ' MET . 26.0 mmt -68.56 -21.47 64.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.254 -176.312 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.46 ' O ' ' HD3' ' A' ' 121' ' ' ARG . 2.3 tmt_? -64.83 -32.85 74.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.892 0.377 . . . . 0.0 110.702 -177.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 38.3 t -73.96 -30.37 62.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.016 0.436 . . . . 0.0 110.739 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.519 HG23 ' HG2' ' A' ' 104' ' ' ARG . 60.5 mt -86.34 -50.72 13.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.06 -178.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.589 HG11 ' HZ ' ' A' ' 68' ' ' PHE . 2.3 m -153.27 82.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.883 -177.052 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -67.94 -32.61 73.18 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 178.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 47.3 m 72.03 120.2 0.03 OUTLIER Pre-proline 0 CA--C 1.531 0.249 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 167.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -70.32 138.9 37.05 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.576 2.184 . . . . 0.0 110.881 171.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 69.75 19.18 7.29 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.294 0.638 . . . . 0.0 111.5 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.2 137.1 41.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.106 176.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.454 ' CD ' ' H ' ' A' ' 130' ' ' GLN . 0.4 OUTLIER -80.16 148.11 31.05 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.99 0.424 . . . . 0.0 111.103 -177.181 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.614 ' HG2' HG13 ' A' ' 133' ' ' VAL . 37.2 tt0 -72.52 96.48 1.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.841 -177.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 64.8 m -91.87 94.44 9.31 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.235 0.54 . . . . 0.0 109.89 176.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.614 HG13 ' HG2' ' A' ' 131' ' ' GLU . 3.7 m -96.12 113.99 31.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.547 -177.145 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 . . . . . 0 C--N 1.319 -0.728 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.317 174.146 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.7 ttm . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.944 0.402 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.23 100.77 3.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.113 177.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -79.54 -53.07 7.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.684 178.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -110.52 103.63 12.25 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.675 -176.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.454 HG22 ' HD2' ' A' ' 6' ' ' PRO . 3.5 m -88.83 145.13 34.17 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 174.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.454 ' HD2' HG22 ' A' ' 5' ' ' THR . 76.2 Cg_exo -51.15 88.47 0.02 OUTLIER 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 122.947 2.431 . . . . 0.0 113.384 179.019 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.414 ' HB3' ' H ' ' A' ' 8' ' ' SER . 64.4 m-85 -152.66 -156.67 0.72 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.329 -0.85 . . . . 0.0 108.83 179.017 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.414 ' H ' ' HB3' ' A' ' 7' ' ' PHE . 23.9 m -65.78 -16.8 64.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.758 0.313 . . . . 0.0 110.914 179.291 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.34 -35.33 73.66 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 175.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.461 ' HG ' HG22 ' A' ' 56' ' ' VAL . 1.5 tm? -67.98 -42.1 81.34 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.193 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.47 ' HE3' ' HA ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -61.64 -39.04 89.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.413 176.833 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -60.85 -40.61 93.54 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.857 175.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -61.09 -42.75 99.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.455 HD22 ' CD1' ' A' ' 19' ' ' TRP . 60.9 mt -66.65 -39.25 88.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.213 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 11' ' ' TRP . 96.0 mt -64.72 -26.94 68.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.856 176.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 57.1 m -66.8 -48.89 67.57 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 175.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -172.64 112.08 0.25 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.765 175.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.8 153.67 5.95 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.261 176.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.455 ' CD1' HD22 ' A' ' 14' ' ' LEU . 15.4 m95 62.41 -164.67 0.25 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.9 0.381 . . . . 0.0 111.167 177.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -153.65 110.48 2.55 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.004 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -66.68 96.03 0.35 Allowed 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.455 2.104 . . . . 0.0 111.045 172.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.1 m -93.32 170.34 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.379 0.609 . . . . 0.0 112.027 -175.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -148.88 161.23 42.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.715 -1.13 . . . . 0.0 109.043 -175.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.55 -28.52 64.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.004 0.43 . . . . 0.0 110.594 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.4 m -64.09 -30.0 71.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.014 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.6 t -128.26 12.3 6.53 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 120.964 -0.295 . . . . 0.0 111.675 -174.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.0 p -65.95 -34.6 71.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.795 0.331 . . . . 0.0 110.748 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -59.95 -52.99 63.02 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.832 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -61.94 -42.28 98.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.048 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.588 ' O ' HG22 ' A' ' 34' ' ' VAL . 15.9 t90 -59.62 -53.82 53.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.611 -178.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.456 HD11 HD11 ' A' ' 39' ' ' ILE . 45.9 mm -60.39 -42.39 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.245 -178.021 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -62.09 -49.03 77.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.316 0.579 . . . . 0.0 111.604 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -67.58 -45.92 74.16 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.988 -174.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.588 HG22 ' O ' ' A' ' 30' ' ' TRP . 21.8 m -84.57 -36.55 11.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.816 -174.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.26 -53.02 4.74 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.203 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -116.99 122.39 44.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.012 0.434 . . . . 0.0 110.476 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.62 173.4 46.26 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.373 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.599 HG12 ' HA ' ' A' ' 97' ' ' VAL . 15.5 m -136.23 135.35 49.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.75 0.309 . . . . 0.0 111.21 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.456 HD11 HD11 ' A' ' 31' ' ' ILE . 2.6 mp -102.54 115.05 43.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 173.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 tt -85.97 120.7 27.65 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.455 ' O ' ' HA ' ' A' ' 93' ' ' PRO . 10.6 mp -86.28 105.87 16.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.001 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.9 t 63.68 -171.7 0.17 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.417 175.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.4 m -157.78 -57.99 0.08 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 176.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.414 ' HA ' ' HD2' ' A' ' 45' ' ' PRO . 32.5 t70 58.03 87.44 0.14 Allowed Pre-proline 0 N--CA 1.465 0.297 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.555 178.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 44' ' ' ASP . 18.8 Cg_endo -60.24 116.93 3.65 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.554 2.169 . . . . 0.0 111.261 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.9 ttt85 -150.24 -80.96 0.11 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.969 -176.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 53.7 ttm-85 -178.62 99.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.043 0.449 . . . . 0.0 110.838 175.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.426 ' C ' ' H ' ' A' ' 50' ' ' GLU . 9.3 m -69.43 146.9 96.76 Favored Pre-proline 0 C--N 1.319 -0.728 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 170.368 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.419 ' HD2' ' CG2' ' A' ' 48' ' ' THR . 36.5 Cg_endo -66.98 44.24 0.21 Allowed 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 122.866 2.378 . . . . 0.0 112.314 174.281 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.426 ' H ' ' C ' ' A' ' 48' ' ' THR . 1.9 tm-20 -177.45 144.67 0.4 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 106.645 -1.613 . . . . 0.0 106.645 -176.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.5 m -74.98 60.44 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.623 0.725 . . . . 0.0 112.065 -175.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.433 ' HB3' ' HB2' ' A' ' 57' ' ' MET . 50.7 m -147.21 48.31 1.13 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.807 177.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.535 ' O ' ' HB2' ' A' ' 54' ' ' ASN . 33.4 t70 -63.15 150.76 42.06 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.865 177.187 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.664 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 5.2 m120 71.95 172.76 0.1 OUTLIER Pre-proline 0 N--CA 1.469 0.509 0 O-C-N 123.353 0.408 . . . . 0.0 110.215 -173.268 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.664 ' HD2' ' HB3' ' A' ' 54' ' ' ASN . 56.8 Cg_endo -70.98 43.59 0.48 Allowed 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.512 2.142 . . . . 0.0 113.783 -178.357 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.461 HG22 ' HG ' ' A' ' 10' ' ' LEU . 49.4 t -86.36 -39.21 13.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.136 0.493 . . . . 0.0 110.199 178.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.433 ' HB2' ' HB3' ' A' ' 52' ' ' SER . 1.1 tmt? -63.9 -35.85 82.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.673 -177.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.479 HD13 ' HA ' ' A' ' 55' ' ' PRO . 3.5 mp -60.12 -31.54 48.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -178.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.458 ' O ' ' HG3' ' A' ' 63' ' ' ARG . . . -63.98 -38.79 92.37 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.039 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -74.71 -36.23 62.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.072 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.26 -41.03 87.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.53 177.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.555 HD12 HG21 ' A' ' 72' ' ' VAL . 6.7 tt -56.51 -42.73 78.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.263 177.453 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 59' ' ' ALA . 48.1 mtp180 -69.89 -16.18 63.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.319 -175.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -95.53 2.4 54.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.189 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.68 88.48 13.81 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.671 0.272 . . . . 0.0 111.037 178.44 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -90.23 15.32 1.9 Allowed 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.823 2.349 . . . . 0.0 111.527 175.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -75.15 -37.93 61.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.584 -175.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.444 ' CE2' ' HB ' ' A' ' 124' ' ' VAL . 0.1 OUTLIER -159.13 177.51 11.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.1 0.476 . . . . 0.0 112.072 -178.301 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.513 ' HB3' ' HB1' ' A' ' 129' ' ' ALA . 7.2 t70 -110.5 118.67 36.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.326 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -142.83 150.24 39.66 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.248 0.547 . . . . 0.0 111.662 -174.053 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.566 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 1.9 mp0 -91.24 123.83 34.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.241 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.555 HG21 HD12 ' A' ' 62' ' ' LEU . 53.4 t -92.2 121.4 42.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.372 179.164 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.98 162.25 21.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.651 -177.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.3 p -145.12 141.2 22.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.516 -177.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.532 ' HB1' ' HB3' ' A' ' 79' ' ' GLN . . . -94.78 130.78 41.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.334 177.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -74.85 86.17 2.23 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -172.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.1 mt 62.57 -75.85 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.945 1.298 . . . . 0.0 112.662 170.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -77.24 -35.89 55.02 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.107 -173.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.532 ' HB3' ' HB1' ' A' ' 75' ' ' ALA . 9.0 tp-100 -58.71 -27.2 64.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.342 -175.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 95.3 p -63.03 -30.95 72.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.408 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.549 ' HA ' ' HB3' ' A' ' 91' ' ' ARG . 34.4 tt0 -60.81 -55.13 36.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -174.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.4 -37.75 85.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.497 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.441 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 70.5 mt -67.07 -51.96 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.753 0.311 . . . . 0.0 110.911 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.496 ' HA3' ' O ' ' A' ' 90' ' ' ARG . . . -66.73 -34.46 87.43 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.728 -177.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -66.53 -31.86 72.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.255 0.55 . . . . 0.0 110.28 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.441 ' HB3' ' O ' ' A' ' 83' ' ' ILE . 8.7 tpm_? -53.51 -43.87 68.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.712 175.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.408 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 5.9 m-85 -83.81 -79.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.013 0.435 . . . . 0.0 109.861 178.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 87' ' ' PHE . 9.1 t30 173.75 20.27 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.451 -175.115 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.1 t -110.29 -20.39 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.153 0.502 . . . . 0.0 110.151 -174.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.496 ' O ' ' HA3' ' A' ' 84' ' ' GLY . 29.8 ttt180 59.22 -147.37 0.49 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.65 -176.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.549 ' HB3' ' HA ' ' A' ' 81' ' ' GLU . 14.8 ptm180 -95.15 34.82 1.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.095 -0.378 . . . . 0.0 111.568 -177.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.427 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 80.4 m-85 -89.96 140.84 27.69 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 175.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.455 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 35.8 Cg_exo -60.91 118.05 4.88 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.801 2.334 . . . . 0.0 112.828 -177.296 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -162.99 159.74 23.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.053 178.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.0 m -126.49 116.12 20.61 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.5 ' HB3' HD11 ' A' ' 103' ' ' LEU . 6.1 mp -92.18 137.1 32.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.979 0.419 . . . . 0.0 110.788 -177.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.599 ' HA ' HG12 ' A' ' 38' ' ' VAL . 60.7 t -96.25 108.35 21.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.783 -176.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -103.06 102.93 12.97 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.308 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.469 ' O ' ' HB3' ' A' ' 100' ' ' ASP . 1.2 p -129.73 142.57 50.68 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.551 ' HA ' ' HB2' ' A' ' 128' ' ' ALA . 33.8 t70 73.39 8.82 5.16 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.989 0.899 . . . . 0.0 109.551 -175.533 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.22 2.05 90.3 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.505 -172.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -113.34 137.31 51.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.801 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.5 HD11 ' HB3' ' A' ' 96' ' ' LEU . 41.4 tp -67.81 107.67 2.7 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 174.023 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -96.24 -30.74 13.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.715 -172.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -173.96 -174.47 40.87 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.182 -1.009 . . . . 0.0 112.463 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.436 ' HA ' ' HA ' ' A' ' 96' ' ' LEU . . . -150.69 137.37 18.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.692 0.282 . . . . 0.0 110.717 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.638 HD11 HD21 ' A' ' 116' ' ' LEU . 4.2 mm? -104.64 143.5 33.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.952 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.1 t -141.0 -61.68 0.48 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 175.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -92.91 136.68 13.28 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.727 175.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.442 ' O ' ' HB2' ' A' ' 111' ' ' HIS . 50.8 mm -67.97 -45.79 83.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.458 0.129 . . . . 0.0 111.121 -177.303 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.741 ' HB3' ' HD2' ' A' ' 112' ' ' PRO . 62.7 m80 69.65 173.33 0.09 OUTLIER Pre-proline 0 N--CA 1.47 0.565 0 O-C-N 123.47 0.481 . . . . 0.0 111.519 177.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.741 ' HD2' ' HB3' ' A' ' 111' ' ' HIS . 56.8 Cg_endo -71.86 10.75 0.79 Allowed 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 122.806 2.337 . . . . 0.0 113.221 176.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 78.82 -14.83 0.82 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.641 0.776 . . . . 0.0 111.899 173.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.77 -34.68 73.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.425 0.631 . . . . 0.0 110.767 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.475 ' O ' ' HG ' ' A' ' 119' ' ' LEU . 12.0 mp0 -74.31 -39.74 62.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.952 178.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.638 HD21 HD11 ' A' ' 107' ' ' LEU . 43.6 mt -61.9 -37.1 83.35 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.848 177.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.94 -43.13 99.1 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 177.184 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 42.0 m -66.18 -38.1 87.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.915 177.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 115' ' ' GLU . 95.5 mt -69.26 -49.63 54.45 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -67.88 -20.26 65.11 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.964 0.411 . . . . 0.0 110.933 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.407 ' HD3' HH11 ' A' ' 121' ' ' ARG . 34.7 ttt180 -63.02 -67.5 0.42 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.382 178.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.7 m -78.39 -45.42 22.43 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -176.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 65.4 mt -78.5 -50.46 19.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 -162.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.444 ' HB ' ' CE2' ' A' ' 68' ' ' PHE . 27.0 m -86.18 29.45 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -168.087 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.485 ' O ' ' HD3' ' A' ' 127' ' ' PRO . 30.7 t70 -75.26 -35.54 61.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 11.8 p -106.49 100.01 27.75 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.737 -178.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.485 ' HD3' ' O ' ' A' ' 125' ' ' ASP . 84.5 Cg_endo -96.12 171.34 1.1 Allowed 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 123.19 2.593 . . . . 0.0 112.231 175.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.551 ' HB2' ' HA ' ' A' ' 100' ' ' ASP . . . -126.72 10.96 7.2 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.058 0.456 . . . . 0.0 109.772 175.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.513 ' HB1' ' HB3' ' A' ' 69' ' ' ASP . . . -51.57 110.94 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.996 179.224 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -98.43 28.55 4.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.088 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 71.19 85.37 0.13 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.3 174.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 18.4 m -91.52 -59.78 2.05 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 169.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 48.3 t 66.95 125.18 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 169.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.022 174.727 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.484 1.274 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.46 -55.18 36.63 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -177.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -67.6 125.82 27.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.666 0.269 . . . . 0.0 110.997 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -63.65 110.8 2.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.457 175.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.7 m -130.5 140.96 40.24 Favored Pre-proline 0 C--N 1.317 -0.812 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.135 -173.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -46.47 145.29 6.25 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.71 2.273 . . . . 0.0 112.195 173.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -68.79 160.52 30.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.135 0.493 . . . . 0.0 111.542 -173.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.4 m -55.28 122.11 10.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.989 -175.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.95 -27.14 68.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.976 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 62.2 tp -53.71 -44.01 69.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.577 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.531 ' CZ2' ' HA ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -59.37 -42.0 90.6 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.277 0.56 . . . . 0.0 110.577 -178.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.02 -43.29 88.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.533 179.103 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.28 -46.29 84.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.467 -177.061 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.5 pp -66.73 -37.98 85.74 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.113 -176.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.515 HD21 ' HZ3' ' A' ' 11' ' ' TRP . 30.7 mt -62.96 -30.04 71.27 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.06 0.457 . . . . 0.0 111.185 177.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.6 m -72.92 -26.3 61.36 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.069 -178.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -97.85 -40.6 8.44 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.967 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.69 -120.97 0.86 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.362 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.1 m95 66.01 -172.78 0.19 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.159 0.504 . . . . 0.0 111.867 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -160.4 119.88 1.6 Allowed Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.909 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.649 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 18.5 Cg_exo -69.14 114.75 3.71 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.382 2.055 . . . . 0.0 110.968 171.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.495 HG13 ' HB1' ' A' ' 73' ' ' ALA . 3.6 m -93.77 159.08 2.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.337 0.589 . . . . 0.0 111.625 -179.242 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.434 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 50.1 mt-10 -137.43 157.57 46.3 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.434 -177.216 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.41 -26.72 61.09 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.141 0.496 . . . . 0.0 110.561 -178.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.1 m -64.67 -27.8 69.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.08 -176.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.3 t -134.75 11.94 3.69 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -174.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.434 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 8.3 p -65.05 -37.21 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.943 0.402 . . . . 0.0 111.201 -177.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.01 -47.61 76.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.517 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -72.89 -35.6 67.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.157 -174.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.469 ' O ' HG22 ' A' ' 34' ' ' VAL . 41.3 t90 -61.62 -47.89 83.39 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.454 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.0 mm -62.99 -38.74 82.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.035 0.445 . . . . 0.0 110.555 178.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -59.69 -36.03 75.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.83 177.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.28 -46.11 16.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.642 -176.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 30' ' ' TRP . 28.8 m -77.01 -43.28 32.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -175.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.96 -46.29 2.27 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.976 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -124.73 139.99 53.35 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.765 0.317 . . . . 0.0 110.452 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.46 174.18 33.03 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.026 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.529 HG12 ' HA ' ' A' ' 97' ' ' VAL . 14.8 m -137.32 139.68 43.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.935 0.397 . . . . 0.0 111.311 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.465 HD13 ' CE1' ' A' ' 98' ' ' PHE . 2.2 mp -105.19 117.23 50.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 174.327 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.408 ' HB3' HG23 ' A' ' 74' ' ' VAL . 5.0 tt -94.27 114.99 27.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.021 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.418 HD12 HG22 ' A' ' 39' ' ' ILE . 10.1 mp -81.51 129.82 34.81 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 175.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.581 ' OG ' ' HA ' ' A' ' 77' ' ' LEU . 65.6 p -64.87 -40.79 95.68 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -172.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.442 ' OG ' ' HB2' ' A' ' 93' ' ' PRO . 14.9 m 58.91 -113.2 0.66 Allowed 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.683 -176.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -165.9 83.91 1.01 Allowed Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -96.53 108.53 0.1 Allowed 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 123.354 2.703 . . . . 0.0 113.409 -177.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.449 ' HD2' ' HA ' ' A' ' 46' ' ' ARG . 13.5 tpt180 -171.22 -55.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.667 173.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.464 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 10.1 mtp180 -77.51 -28.43 52.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.505 -178.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.1 p -113.1 90.25 15.74 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-O 121.184 0.516 . . . . 0.0 111.008 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.464 ' HD3' ' O ' ' A' ' 47' ' ' ARG . 6.3 Cg_exo -79.08 48.73 2.92 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 123.325 2.684 . . . . 0.0 111.851 -179.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.616 ' HB3' HD11 ' A' ' 110' ' ' ILE . 47.2 mt-10 -67.84 -41.43 82.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.487 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.0 m -101.06 73.01 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.192 0.52 . . . . 0.0 110.22 175.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.0 m 68.78 -69.31 0.16 Allowed 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.789 -175.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.0 t70 179.71 -58.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -112.25 162.01 23.39 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.679 172.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -68.31 44.69 0.31 Allowed 'Trans proline' 0 N--CA 1.482 0.807 0 C-N-CA 123.502 2.801 . . . . 0.0 114.087 -177.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.3 t -85.9 -20.82 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.367 0.603 . . . . 0.0 110.071 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.6 ttt -55.94 -36.48 67.8 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.736 -177.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.476 ' H ' HD12 ' A' ' 58' ' ' ILE . 4.0 mp -65.55 -43.33 94.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.974 0.416 . . . . 0.0 110.643 -177.576 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.55 -32.23 73.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.045 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -74.06 -44.15 55.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.323 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -36.48 83.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.73 -178.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.56 HD22 HG21 ' A' ' 72' ' ' VAL . 56.2 tp -57.64 -36.37 71.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.627 -178.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -57.84 -34.99 70.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.604 -173.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.574 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 15.3 pt-20 -111.24 24.66 12.6 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.821 -177.287 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -84.66 102.54 2.3 Favored Pre-proline 0 CA--C 1.529 0.142 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 174.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.574 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 92.0 Cg_endo -87.23 4.65 6.02 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.641 2.227 . . . . 0.0 113.29 -171.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.15 -57.3 3.8 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.864 0.364 . . . . 0.0 110.444 -176.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.414 ' N ' ' CD1' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -159.65 155.13 25.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.575 -176.271 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -94.14 72.55 3.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.914 178.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.474 ' CZ3' HG13 ' A' ' 97' ' ' VAL . 0.2 OUTLIER -85.09 169.28 14.07 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.188 0.518 . . . . 0.0 111.997 -176.297 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -85.95 128.78 34.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.902 -175.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.56 HG21 HD22 ' A' ' 62' ' ' LEU . 62.4 t -106.95 122.91 61.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 177.177 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.495 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -133.76 158.39 43.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.856 -178.019 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.649 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 12.0 p -138.31 148.16 25.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -177.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.01 151.22 22.41 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 177.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.531 ' HA ' ' CZ2' ' A' ' 11' ' ' TRP . 4.7 m-20 -54.54 -71.71 0.07 Allowed 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.389 0.431 . . . . 0.0 110.953 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.581 ' HA ' ' OG ' ' A' ' 42' ' ' SER . 2.5 pt? -168.22 -42.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.687 176.379 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -73.92 -48.72 28.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.667 -176.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.419 ' O ' HG13 ' A' ' 83' ' ' ILE . 0.8 OUTLIER -55.63 -28.03 53.02 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.347 -174.912 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.2 m -50.82 -38.6 49.6 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -74.2 -41.97 60.56 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.167 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.7 -34.53 78.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.307 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.531 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 82.1 mt -69.16 -44.48 80.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.845 0.355 . . . . 0.0 110.327 177.213 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.59 -31.41 80.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.337 176.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -66.99 -39.13 87.08 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 123.338 0.655 . . . . 0.0 110.774 176.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.531 ' HB3' ' O ' ' A' ' 83' ' ' ILE . 14.8 tpt180 -48.72 -44.25 38.1 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.827 176.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.602 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 6.0 m-85 -85.6 -79.52 0.24 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.08 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.602 ' HB2' ' O ' ' A' ' 87' ' ' PHE . 63.3 t30 153.87 35.13 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.72 0 O-C-N 124.822 1.326 . . . . 0.0 108.755 -177.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 42.9 t -81.66 99.42 4.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.064 0.459 . . . . 0.0 110.609 -175.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -96.32 -12.36 24.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.89 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -122.41 99.1 6.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.66 -0.246 . . . . 0.0 111.541 -174.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 64.98 98.83 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.366 0 O-C-N 124.087 0.867 . . . . 0.0 112.846 173.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.442 ' HB2' ' OG ' ' A' ' 43' ' ' SER . 15.5 Cg_exo -69.01 150.21 72.51 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.486 2.124 . . . . 0.0 110.628 171.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -159.77 -159.32 0.72 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.735 0.302 . . . . 0.0 110.779 -170.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.45 HG22 ' HB ' ' A' ' 38' ' ' VAL . 7.7 m -98.4 117.65 33.29 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 176.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.408 HD22 ' N ' ' A' ' 96' ' ' LEU . 3.0 mm? -89.65 134.6 34.07 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.997 0.427 . . . . 0.0 110.81 -177.246 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.529 ' HA ' HG12 ' A' ' 38' ' ' VAL . 86.4 t -90.32 114.05 27.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.627 -177.123 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.465 ' CE1' HD13 ' A' ' 39' ' ' ILE . 92.5 m-85 -112.94 124.61 53.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.368 0.604 . . . . 0.0 110.255 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.3 m -146.77 147.24 30.71 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.5 t0 68.23 13.14 9.0 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.476 0.655 . . . . 0.0 110.126 -178.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.06 6.13 89.29 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.476 -174.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -121.12 157.05 30.99 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.876 0.37 . . . . 0.0 111.17 -177.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.451 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 54.2 tp -80.91 116.68 21.01 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 178.203 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.592 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 0.8 OUTLIER -91.0 -50.06 6.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.998 -176.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -170.42 -146.13 5.02 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.817 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -146.6 165.02 30.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.489 0.185 . . . . 0.0 110.55 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.64 88.99 7.06 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.8 p -106.74 13.47 27.96 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.82 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -79.56 63.36 3.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.362 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.616 HD11 ' HB3' ' A' ' 50' ' ' GLU . 17.7 tt -84.72 -14.81 11.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.694 0.759 . . . . 0.0 110.181 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.45 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 11.5 t-160 -94.11 123.52 58.86 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 111' ' ' HIS . 58.2 Cg_exo -52.78 89.85 0.03 OUTLIER 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 123.602 2.868 . . . . 0.0 114.743 -172.207 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.462 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.1 OUTLIER 61.1 -161.37 0.29 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.29 -0.868 . . . . 0.0 112.795 172.718 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 72.12 -63.85 0.41 Allowed 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 123.622 0.769 . . . . 0.0 111.084 -174.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -79.75 -19.3 49.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.905 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 113' ' ' TRP . 19.0 mt -59.12 -33.28 70.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.668 175.104 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 75.6 mt -65.32 -39.43 92.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.015 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.0 m -68.55 -45.03 73.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.65 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 98.0 mt -62.13 -49.94 73.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.004 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 71.4 mtm -62.29 -37.18 84.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.318 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -56.8 -50.75 71.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.708 0.29 . . . . 0.0 111.536 -178.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.0 m -76.69 -34.64 58.19 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.624 HG22 HG13 ' A' ' 124' ' ' VAL . 35.9 mm -83.78 -49.24 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -172.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.624 HG13 HG22 ' A' ' 123' ' ' ILE . 4.6 m -129.57 76.91 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.505 0.669 . . . . 0.0 111.083 -174.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -67.46 -73.85 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.744 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.4 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . 63.7 m 65.75 117.81 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.893 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 126' ' ' THR . 36.9 Cg_exo -59.15 104.28 0.2 Allowed 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.867 2.378 . . . . 0.0 112.836 -178.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 61.12 91.5 0.06 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.823 175.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.17 160.31 32.35 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 173.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -89.56 -57.71 2.78 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.03 -0.268 . . . . 0.0 111.713 -177.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -79.79 108.93 13.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.818 0.342 . . . . 0.0 110.774 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 19.2 p -129.66 -68.16 0.73 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.233 176.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 61.4 t 65.45 96.15 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.253 177.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.932 177.798 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 120.813 0.34 . . . . 0.0 111.289 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 68.67 -64.49 0.31 Allowed 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.431 176.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -56.04 -70.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.573 0.545 . . . . 0.0 110.54 -178.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 47.29 68.97 0.56 Allowed 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 173.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.46 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 6.8 t -115.48 125.3 28.95 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-O 121.139 0.495 . . . . 0.0 109.796 176.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 13.7 Cg_exo -69.86 110.03 2.47 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.929 2.419 . . . . 0.0 112.99 -176.024 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -137.87 175.43 9.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.785 174.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.2 m 67.06 92.42 0.08 Allowed 'General case' 0 C--N 1.331 -0.224 0 O-C-N 123.85 0.719 . . . . 0.0 111.047 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.67 -28.72 70.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.233 -178.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.07 -29.1 66.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.781 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.61 ' CZ3' ' HG3' ' A' ' 21' ' ' PRO . 0.5 OUTLIER -62.97 -36.11 82.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.429 179.429 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -61.49 -37.83 85.07 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.346 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.413 ' O ' ' HB ' ' A' ' 16' ' ' THR . 26.2 mmt180 -73.38 -28.39 62.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.356 178.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.493 ' HB3' ' HB2' ' A' ' 19' ' ' TRP . 83.4 mt -61.46 -48.37 81.43 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 175.273 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.17 -30.84 71.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.797 175.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.413 ' HB ' ' O ' ' A' ' 13' ' ' ARG . 67.3 m -58.99 -49.76 76.68 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.409 177.323 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -69.89 -44.94 68.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.821 0.343 . . . . 0.0 110.565 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.79 38.14 0.14 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.432 -0.89 . . . . 0.0 112.63 178.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.493 ' HB2' ' HB3' ' A' ' 14' ' ' LEU . 12.0 m95 -93.07 124.62 37.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.908 0.385 . . . . 0.0 110.239 179.028 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -105.08 119.66 52.42 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.82 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.61 ' HG3' ' CZ3' ' A' ' 11' ' ' TRP . 19.2 Cg_exo -68.25 107.59 1.6 Allowed 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.538 2.159 . . . . 0.0 111.386 175.188 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.502 HG21 HG13 ' A' ' 39' ' ' ILE . 15.3 m -101.1 175.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.586 -176.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.518 ' HB2' HG22 ' A' ' 26' ' ' THR . 42.3 mt-10 -145.52 161.18 40.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.574 -174.019 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.12 -18.35 60.81 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.095 0.474 . . . . 0.0 110.785 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.6 p -81.93 -18.32 44.03 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.579 -178.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.518 HG22 ' HB2' ' A' ' 23' ' ' GLU . 9.0 t -131.08 12.94 5.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.802 0.334 . . . . 0.0 111.246 -176.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.8 -38.88 83.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.044 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -64.4 -49.83 70.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.142 0.496 . . . . 0.0 110.497 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -65.6 -42.12 92.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.619 -176.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.486 ' O ' HG22 ' A' ' 34' ' ' VAL . 53.9 t90 -60.38 -47.37 86.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.4 -177.075 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.48 HD11 ' CD1' ' A' ' 39' ' ' ILE . 33.9 mm -62.02 -40.64 88.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.554 178.003 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.433 ' HD2' ' O ' ' A' ' 32' ' ' LYS . 4.0 tmmm? -58.62 -42.52 88.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.274 178.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -74.04 -47.0 39.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.523 -175.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 30' ' ' TRP . 33.3 m -78.45 -37.11 21.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.0 -0.546 . . . . 0.0 112.006 -174.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.51 -54.51 4.93 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.501 -0.64 . . . . 0.0 111.501 -177.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -124.57 125.79 44.74 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 120.797 0.332 . . . . 0.0 110.292 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.546 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . -178.7 174.22 46.42 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.028 -0.606 . . . . 0.0 111.938 -179.015 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.553 HG12 ' HA ' ' A' ' 97' ' ' VAL . 13.3 m -133.68 127.21 52.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 O-C-N 122.812 -0.228 . . . . 0.0 111.088 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.659 HG21 HG21 ' A' ' 83' ' ' ILE . 1.9 mp -91.51 116.42 32.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 174.421 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.528 HD11 HD13 ' A' ' 58' ' ' ILE . 3.8 tt -94.7 130.05 41.35 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.699 178.046 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.485 ' HB2' ' H ' ' A' ' 94' ' ' ALA . 7.7 mp -91.2 108.76 20.1 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.551 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.476 ' HA ' ' O ' ' A' ' 76' ' ' ASP . 15.5 m 64.26 -95.46 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.31 0.644 . . . . 0.0 112.49 177.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.7 ' HA ' ' HG3' ' A' ' 55' ' ' PRO . 47.6 t -173.9 -74.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 -174.358 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.533 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 19.8 t70 -167.75 -52.34 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.572 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.533 ' HD2' ' H ' ' A' ' 44' ' ' ASP . 56.2 Cg_endo -71.41 147.2 52.03 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 121.636 1.557 . . . . 0.0 111.961 176.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.429 ' HD2' ' HA ' ' A' ' 46' ' ' ARG . 11.4 tpt180 -108.83 -13.59 14.73 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 177.174 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 49.6 ttm-85 -161.83 -62.66 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.88 175.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 9.7 m -91.37 117.83 68.07 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 48' ' ' THR . 2.7 Cg_exo -76.62 109.0 2.77 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 123.078 2.519 . . . . 0.0 111.437 175.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.801 ' HG3' HG23 ' A' ' 51' ' ' VAL . 12.3 tp10 -81.54 -74.02 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.633 -178.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.801 HG23 ' HG3' ' A' ' 50' ' ' GLU . 48.5 t -117.54 -30.05 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.44 0.638 . . . . 0.0 109.904 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.1 p -83.23 139.59 33.03 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.237 -175.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -108.69 -61.11 1.65 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 166.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -128.11 159.53 66.46 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 114.609 -1.178 . . . . 0.0 108.704 177.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.7 ' HG3' ' HA ' ' A' ' 43' ' ' SER . 19.2 Cg_exo -66.25 89.65 0.26 Allowed 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.689 2.259 . . . . 0.0 112.739 -176.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.5 m -74.28 -35.52 40.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.75 -178.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 91.7 mtp -55.52 -49.13 73.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.355 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.705 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 4.4 mp -65.83 -45.94 90.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -179.134 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.41 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -58.29 -38.39 76.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.707 -178.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.478 ' OE2' ' HD2' ' A' ' 63' ' ' ARG . 7.3 tp10 -74.14 -39.62 63.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.519 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -60.84 -41.2 95.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.403 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.705 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 76.3 mt -51.36 -29.65 16.1 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.518 -178.584 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.478 ' HD2' ' OE2' ' A' ' 60' ' ' GLU . 72.7 mtt180 -65.62 -34.01 77.22 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -173.243 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -120.53 -1.06 10.17 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -173.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -59.1 107.61 1.04 Allowed Pre-proline 0 N--CA 1.467 0.417 0 CA-C-N 118.195 0.452 . . . . 0.0 110.904 -175.259 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -89.88 -5.28 5.19 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 123.017 2.478 . . . . 0.0 112.987 -173.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -88.92 -37.7 15.07 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.534 -175.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -136.2 136.42 39.94 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.806 -173.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -103.19 75.41 1.36 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 165.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.546 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . 0.1 OUTLIER -101.46 164.73 11.62 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.853 -1.067 . . . . 0.0 112.115 -172.13 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -91.11 135.38 33.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.507 176.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.51 HG21 HD13 ' A' ' 62' ' ' LEU . 9.6 t -90.08 129.88 40.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.211 -176.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.459 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . . . -125.96 140.91 52.24 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.913 0.387 . . . . 0.0 110.55 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.578 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 5.5 p -145.39 138.99 21.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.884 179.192 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.434 ' HB1' ' HB2' ' A' ' 79' ' ' GLN . . . -107.49 154.29 21.59 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.481 ' CG ' ' H ' ' A' ' 77' ' ' LEU . 20.9 p-10 -64.99 -70.78 0.21 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -172.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.481 ' H ' ' CG ' ' A' ' 76' ' ' ASP . 69.0 mt -159.78 -56.9 0.06 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -176.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -71.29 -40.95 70.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.442 -177.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.493 ' O ' HG13 ' A' ' 83' ' ' ILE . 88.4 mm-40 -67.13 -35.79 80.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.42 178.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.6 m -57.7 -46.36 84.44 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.673 176.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -59.12 -43.05 91.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.491 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.48 -38.89 68.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.164 -177.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.659 HG21 HG21 ' A' ' 39' ' ' ILE . 80.9 mt -61.66 -47.35 93.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.596 0.236 . . . . 0.0 110.958 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -66.35 -31.68 79.68 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.429 -0.891 . . . . 0.0 112.003 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.544 ' HB2' ' HD2' ' A' ' 90' ' ' ARG . 18.9 t70 -68.26 -32.33 72.43 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 122.817 0.447 . . . . 0.0 110.69 -178.423 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -44.51 -45.5 9.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.408 177.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.431 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -101.52 -73.53 0.65 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.678 178.247 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 87' ' ' PHE . 15.8 t-20 170.18 25.12 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.27 0.557 . . . . 0.0 110.001 -173.08 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.0 t -116.6 28.09 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 122.121 0.962 . . . . 0.0 109.041 -175.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.544 ' HD2' ' HB2' ' A' ' 85' ' ' ASP . 53.7 ttt180 -77.3 76.45 3.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.281 177.275 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.423 ' HD2' ' HA ' ' A' ' 91' ' ' ARG . 14.7 tpt180 -149.03 78.16 1.38 Allowed 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.225 -175.07 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.488 ' HB3' ' HD2' ' A' ' 93' ' ' PRO . 86.8 m-85 67.53 172.69 0.09 OUTLIER Pre-proline 0 CA--C 1.539 0.529 0 O-C-N 123.701 0.626 . . . . 0.0 112.006 174.001 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.488 ' HD2' ' HB3' ' A' ' 92' ' ' PHE . 48.4 Cg_exo -59.63 131.48 40.4 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.553 2.168 . . . . 0.0 112.969 177.472 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.485 ' H ' ' HB2' ' A' ' 41' ' ' LEU . . . -159.25 -176.56 5.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.426 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.6 m -131.04 121.99 25.99 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.44 ' HB2' ' HE1' ' A' ' 98' ' ' PHE . 62.7 mt -94.23 135.33 35.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.518 -178.133 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.553 ' HA ' HG12 ' A' ' 38' ' ' VAL . 48.1 t -101.88 117.22 46.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.997 -175.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.532 ' CE2' HD13 ' A' ' 103' ' ' LEU . 68.7 m-85 -119.04 115.38 24.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.354 179.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 100' ' ' ASP . 49.8 p -129.46 150.15 50.93 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 175.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 99' ' ' THR . 10.4 m-20 68.42 12.02 8.57 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.315 0.384 . . . . 0.0 111.26 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 77.86 13.42 83.43 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.034 -0.603 . . . . 0.0 111.825 -172.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -123.82 144.51 49.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.738 0.304 . . . . 0.0 110.877 -177.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.532 HD13 ' CE2' ' A' ' 98' ' ' PHE . 54.1 tp -78.34 122.3 25.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.132 0.491 . . . . 0.0 110.403 178.076 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -92.88 -42.17 9.65 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.624 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 162.17 -148.92 16.66 Favored Glycine 0 N--CA 1.444 -0.824 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 -178.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -125.82 154.13 43.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.737 0.303 . . . . 0.0 110.778 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 107' ' ' LEU . 0.5 OUTLIER -86.94 92.82 9.15 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 178.068 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 24.7 m -139.53 97.5 3.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 -176.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -106.83 151.07 16.88 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 175.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 34.6 pt -94.99 -10.5 9.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.577 0.703 . . . . 0.0 110.084 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.926 ' HB3' ' HG2' ' A' ' 115' ' ' GLU . 18.2 t-80 -125.24 130.66 24.08 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 175.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -41.76 -49.44 5.43 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.618 2.878 . . . . 0.0 114.316 -173.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.574 ' HD1' ' H ' ' A' ' 114' ' ' ALA . 0.9 OUTLIER -141.3 -164.66 1.81 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 177.169 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.574 ' H ' ' HD1' ' A' ' 113' ' ' TRP . . . 71.23 -66.99 0.27 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.63 0.772 . . . . 0.0 111.335 -177.383 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.926 ' HG2' ' HB3' ' A' ' 111' ' ' HIS . 0.0 OUTLIER -66.58 -22.04 66.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.704 -0.225 . . . . 0.0 110.95 -178.236 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.3 mt -50.19 -34.1 21.53 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.513 176.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.537 ' O ' ' HG3' ' A' ' 121' ' ' ARG . 91.0 mt -70.25 -43.33 70.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.867 0.365 . . . . 0.0 110.215 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.514 ' O ' ' HB2' ' A' ' 121' ' ' ARG . 19.1 m -67.7 -42.95 81.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.728 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 115' ' ' GLU . 3.7 mm? -62.18 -48.37 80.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.52 175.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 46.9 tpp -53.92 -34.96 61.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.252 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.537 ' HG3' ' O ' ' A' ' 117' ' ' LEU . 46.7 mtt180 -53.65 -52.44 59.95 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.113 0.482 . . . . 0.0 111.399 177.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.8 t -66.89 -36.51 82.46 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.169 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 75.3 mt -67.03 -50.28 65.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.858 0.361 . . . . 0.0 111.266 -177.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.0 m -134.44 75.24 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.503 0.668 . . . . 0.0 110.271 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -52.0 -50.69 60.82 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.159 -178.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 12.3 m 57.15 85.13 0.2 Allowed Pre-proline 0 C--N 1.329 -0.321 0 O-C-N 123.923 0.764 . . . . 0.0 111.27 177.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.03 16.1 1.03 Allowed 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 123.039 2.493 . . . . 0.0 112.312 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 71.25 173.67 0.31 Allowed 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.971 0.794 . . . . 0.0 110.79 -176.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -149.41 168.59 23.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.949 -178.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -89.23 119.22 29.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.39 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 71.0 -77.5 0.05 Allowed 'General case' 0 C--O 1.233 0.223 0 O-C-N 124.172 0.92 . . . . 0.0 111.399 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 13.0 t -175.78 170.53 2.82 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -178.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 28.6 m -116.82 8.34 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.188 -178.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 120.915 0.388 . . . . 0.0 110.943 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 70.39 117.71 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 O-C-N 124.084 0.865 . . . . 0.0 112.019 176.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -86.15 -61.23 1.79 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.2 t70 61.51 -82.26 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.994 0.809 . . . . 0.0 111.818 175.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.4 m 67.2 105.15 0.03 OUTLIER Pre-proline 0 C--O 1.234 0.273 0 O-C-N 123.611 0.57 . . . . 0.0 111.679 178.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -82.25 164.75 17.03 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.704 2.27 . . . . 0.0 112.009 177.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -81.24 179.98 7.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.03 0.443 . . . . 0.0 110.938 178.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.6 p -84.22 27.19 0.7 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.173 -175.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.49 -37.62 84.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.114 0.483 . . . . 0.0 110.577 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.9 mt -65.66 -42.19 91.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.609 176.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 22.4 t-105 -70.98 -32.86 69.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.115 -177.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -60.07 -38.4 82.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.778 176.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -65.01 -29.26 70.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.648 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 77.5 mt -71.56 -45.78 61.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.196 178.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.32 -28.86 70.3 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 176.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.485 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 58.4 m -62.85 -57.15 11.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.788 175.242 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 16' ' ' THR . 19.1 mtt180 -176.2 119.24 0.14 Allowed 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.576 175.249 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 156.08 -97.92 0.17 Allowed Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.903 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.567 ' CE3' HG11 ' A' ' 74' ' ' VAL . 46.8 m0 -90.21 129.34 36.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.656 0.265 . . . . 0.0 110.828 178.019 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -90.73 116.19 65.86 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 173.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.502 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 42.7 Cg_endo -68.93 122.69 9.6 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.6 2.2 . . . . 0.0 112.065 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.7 m -117.33 176.62 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.119 0.485 . . . . 0.0 111.444 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -151.46 170.73 18.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.744 -174.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.96 -22.85 61.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.221 0.534 . . . . 0.0 109.754 173.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 m -63.04 -34.53 77.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.139 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.1 t -122.37 3.25 9.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.837 -174.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.8 p -62.19 -40.2 86.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-O 120.833 0.349 . . . . 0.0 110.922 -176.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -61.4 -53.46 56.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.091 0.472 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.68 -29.69 68.2 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.798 -176.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.645 ' O ' HG22 ' A' ' 34' ' ' VAL . 36.7 t90 -62.25 -56.01 22.76 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.495 HD12 ' HE3' ' A' ' 30' ' ' TRP . 2.0 mp -60.3 -38.41 77.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 CA-C-O 121.036 0.446 . . . . 0.0 110.263 177.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -60.96 -44.87 96.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.363 178.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -81.0 -46.94 14.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.293 -171.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.645 HG22 ' O ' ' A' ' 30' ' ' TRP . 21.8 m -94.88 -35.02 5.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -175.131 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.07 -52.33 2.86 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.976 177.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.443 ' OD1' ' HA ' ' A' ' 99' ' ' THR . 14.5 m-20 -115.47 153.91 30.26 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.802 0.334 . . . . 0.0 111.109 -174.226 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.515 ' HA3' ' HH2' ' A' ' 30' ' ' TRP . . . 148.17 -167.09 28.98 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.828 177.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.504 HG12 ' HA ' ' A' ' 97' ' ' VAL . 15.8 m -140.27 146.7 24.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 117.04 0.42 . . . . 0.0 111.284 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.549 HG21 HG21 ' A' ' 83' ' ' ILE . 2.4 mp -118.16 124.6 73.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 173.29 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tt -96.62 118.02 32.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.715 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.51 ' HA ' ' HB2' ' A' ' 80' ' ' SER . 7.5 mp -86.03 129.08 34.95 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 178.387 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.629 ' HB3' ' HB3' ' A' ' 93' ' ' PRO . 46.6 t 65.53 104.36 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 O-C-N 123.917 0.761 . . . . 0.0 110.48 -175.357 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 m -52.51 -64.81 0.7 Allowed 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.738 -175.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.405 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 1.2 p-10 -153.42 112.04 2.61 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-O 121.168 0.508 . . . . 0.0 111.19 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 44' ' ' ASP . 14.8 Cg_exo -69.66 -38.81 7.49 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.933 2.422 . . . . 0.0 112.032 177.413 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.9 mtt-85 56.11 -156.96 0.26 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.234 176.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 53.4 mtm180 75.96 22.24 1.47 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.217 174.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.6 t -138.61 63.81 34.66 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-O 122.069 0.938 . . . . 0.0 109.444 176.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -84.2 42.82 1.25 Allowed 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.751 2.301 . . . . 0.0 113.887 -168.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.25 -49.2 9.0 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 171.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.1 m -83.35 -170.46 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.227 170.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.2 m -70.11 103.55 2.34 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 172.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -63.9 93.97 0.09 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.248 0.546 . . . . 0.0 110.028 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -175.04 144.44 0.82 Allowed Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 -176.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -68.16 59.03 0.96 Allowed 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 122.742 2.295 . . . . 0.0 113.22 177.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 m -83.33 111.97 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.337 0.589 . . . . 0.0 111.176 177.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.436 ' HB3' HD12 ' A' ' 58' ' ' ILE . 37.1 ttm 176.59 -59.6 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.756 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.444 ' H ' HD12 ' A' ' 58' ' ' ILE . 3.7 mp -65.96 -33.27 62.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.265 -178.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.474 ' O ' ' HG2' ' A' ' 63' ' ' ARG . . . -61.33 -51.23 69.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.623 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.578 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 2.2 mp0 -60.26 -43.25 96.33 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.694 178.135 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.9 mt -52.24 -51.24 59.49 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.26 0.553 . . . . 0.0 111.172 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 45.5 tp -61.98 -34.73 76.69 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.61 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' A' ' 59' ' ' ALA . 24.1 mmt180 -75.97 -36.95 59.08 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -174.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.578 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 13.2 pt-20 -111.85 24.93 12.12 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -175.233 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -79.0 108.1 7.52 Favored Pre-proline 0 C--N 1.33 -0.243 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 177.264 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 90.3 Cg_endo -94.95 15.38 1.13 Allowed 'Trans proline' 0 N--CA 1.455 -0.765 0 C-N-CA 123.033 2.488 . . . . 0.0 113.306 -174.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.24 -66.49 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.649 -176.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.463 ' HE2' HG11 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -144.94 177.83 8.47 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -175.209 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -109.12 116.25 31.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.267 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -140.04 179.18 6.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.936 0.398 . . . . 0.0 111.611 -175.206 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -91.92 140.43 29.67 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.872 -174.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.9 p -110.87 130.97 63.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.046 176.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -143.41 143.28 31.56 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.091 0.472 . . . . 0.0 111.374 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.567 HG11 ' CE3' ' A' ' 19' ' ' TRP . 25.3 m -129.24 144.69 37.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 177.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.495 ' HB3' ' HB3' ' A' ' 80' ' ' SER . . . -103.76 156.51 17.76 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.851 -173.157 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.555 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 10.1 t70 -56.94 139.18 52.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.829 174.013 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.7 tt -52.56 -43.09 65.0 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.273 0.358 . . . . 0.0 110.995 -176.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -77.86 -53.37 7.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.974 0.416 . . . . 0.0 110.786 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.555 ' HB2' ' HB3' ' A' ' 76' ' ' ASP . 84.1 mm-40 -62.63 -24.04 67.39 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -172.557 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.51 ' HB2' ' HA ' ' A' ' 41' ' ' LEU . 22.6 p -68.87 -20.73 64.27 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -176.328 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -65.04 -43.32 92.75 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.191 0.52 . . . . 0.0 109.883 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.2 -28.31 69.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.186 176.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.585 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 52.5 mt -65.41 -47.71 85.85 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.173 0 CA-C-O 120.904 0.383 . . . . 0.0 110.29 177.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.93 -40.51 99.37 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.387 -0.911 . . . . 0.0 111.594 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -65.09 -35.81 82.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.921 0.391 . . . . 0.0 110.853 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.585 ' HB3' ' O ' ' A' ' 83' ' ' ILE . 8.9 tpt180 -46.34 -48.23 18.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.279 175.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.488 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 9.1 m-85 -82.99 -77.71 0.23 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 177.533 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.488 ' HB2' ' O ' ' A' ' 87' ' ' PHE . 6.2 t30 171.16 24.96 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.218 -177.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 46.8 t -117.71 111.24 33.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 121.861 -0.524 . . . . 0.0 110.887 -172.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 90' ' ' ARG . 16.3 ttm180 -137.92 86.07 2.15 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 175.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 -165.77 82.09 0.31 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.248 -176.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 69.63 163.9 0.14 Allowed Pre-proline 0 N--CA 1.469 0.513 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.171 175.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.629 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 22.8 Cg_exo -66.53 140.0 55.64 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.865 2.377 . . . . 0.0 112.287 177.403 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -157.19 161.31 39.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.421 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.8 m -109.04 120.15 41.68 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 177.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 82.4 mt -92.75 131.79 37.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.724 -177.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.504 ' HA ' HG12 ' A' ' 38' ' ' VAL . 58.6 t -97.53 114.29 34.29 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.805 -178.412 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -108.96 120.39 42.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.152 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.491 ' OG1' ' HG3' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -146.26 143.63 29.32 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.808 177.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.0 t70 72.04 10.84 6.1 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.723 0.773 . . . . 0.0 109.903 -178.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.08 4.17 90.33 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.544 -174.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -115.13 150.46 35.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.942 0.401 . . . . 0.0 111.08 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 45.8 tp -79.6 109.25 13.81 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 173.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.491 ' HG3' ' OG1' ' A' ' 99' ' ' THR . 22.0 mmm180 -94.56 -47.24 6.62 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.579 -169.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -155.11 179.47 31.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.259 -0.972 . . . . 0.0 112.241 -177.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -147.68 134.13 19.7 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.746 0.308 . . . . 0.0 110.738 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 107' ' ' LEU . 4.2 mm? -70.61 103.29 2.48 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 177.273 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.7 m -107.97 118.25 36.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.678 -178.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 137.0 168.39 11.37 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.035 178.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 8.4 tp -77.08 -34.0 21.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-O 121.315 0.578 . . . . 0.0 110.503 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -165.05 88.38 1.01 Allowed Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 175.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.402 ' HB2' ' H ' ' A' ' 113' ' ' TRP . 6.8 Cg_exo -72.85 -94.86 0.01 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.658 2.239 . . . . 0.0 113.66 -172.145 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.778 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.2 OUTLIER 57.4 -163.2 0.19 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.887 -169.858 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 64.31 -73.09 0.05 Allowed 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 122.856 0.463 . . . . 0.0 111.635 -177.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.487 ' O ' HD23 ' A' ' 119' ' ' LEU . 12.4 pt-20 -75.42 -6.79 51.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.763 0.316 . . . . 0.0 110.343 178.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.778 HD12 ' HA ' ' A' ' 113' ' ' TRP . 2.1 mt -55.0 -33.62 62.76 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.231 176.317 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 117' ' ' LEU . 4.1 mm? -67.92 -33.27 74.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.023 0.44 . . . . 0.0 110.454 178.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.9 m -74.44 -45.26 47.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.1 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 115' ' ' GLU . 3.5 mm? -60.07 -49.76 76.4 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.433 179.034 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 45.8 ttm -54.37 -45.76 72.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -178.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 -61.06 -54.7 41.48 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.238 178.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.9 m -58.81 -40.79 85.14 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.952 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.588 HG22 HG13 ' A' ' 124' ' ' VAL . 68.7 mt -74.01 -49.68 32.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.471 -178.201 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.588 HG13 HG22 ' A' ' 123' ' ' ILE . 3.1 m -140.58 86.14 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-O 121.727 0.775 . . . . 0.0 110.971 -175.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -69.92 -38.68 76.32 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.148 173.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 15.0 m 48.25 74.89 0.73 Allowed Pre-proline 0 CA--C 1.532 0.286 0 CA-C-N 114.74 -1.118 . . . . 0.0 111.97 176.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -69.39 102.4 0.96 Allowed 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.455 2.103 . . . . 0.0 111.592 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.428 ' HA ' ' OE1' ' A' ' 134' ' ' GLN . . . -70.07 124.98 25.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.734 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.555 ' HB3' HG21 ' A' ' 132' ' ' THR . . . -131.44 171.15 13.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.605 -178.21 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -113.58 120.24 40.25 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.774 -172.16 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 61.1 27.26 17.1 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.406 0.683 . . . . 0.0 112.554 177.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.555 HG21 ' HB3' ' A' ' 129' ' ' ALA . 10.5 t -95.94 14.5 23.35 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.917 0.389 . . . . 0.0 110.291 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 21.9 t 64.37 57.11 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 122.125 0.964 . . . . 0.0 109.223 -175.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.428 ' OE1' ' HA ' ' A' ' 128' ' ' ALA . 27.9 tt0 . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.087 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.646 0.26 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.22 124.52 32.71 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 176.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -76.79 119.96 21.29 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.954 0.407 . . . . 0.0 111.105 -177.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -152.32 -71.83 0.15 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 174.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.438 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 28.0 m 63.2 92.92 0.06 OUTLIER Pre-proline 0 CA--C 1.531 0.231 0 CA-C-N 115.342 -0.844 . . . . 0.0 112.217 173.551 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 5' ' ' THR . 18.5 Cg_endo -60.62 -62.61 0.14 Allowed 'Trans proline' 0 CA--C 1.531 0.375 0 C-N-CA 122.295 1.996 . . . . 0.0 112.033 175.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -138.67 -105.22 0.18 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.902 0.382 . . . . 0.0 111.303 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.4 p -87.23 20.75 2.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.099 0.475 . . . . 0.0 112.24 -174.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.59 -28.27 68.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -59.46 -45.78 90.64 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.354 -177.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.487 ' CZ2' ' HG ' ' A' ' 15' ' ' LEU . 12.1 t-105 -58.27 -43.29 87.89 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.141 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -54.83 -38.55 67.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.487 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.48 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 2.2 mpt_? -74.74 -36.32 62.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.34 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 70.8 mt -68.26 -31.59 71.17 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.882 0.373 . . . . 0.0 110.928 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.487 ' HG ' ' CZ2' ' A' ' 11' ' ' TRP . 1.4 mt -58.26 -29.45 65.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.648 175.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.2 m -76.97 -50.3 13.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.836 175.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -159.93 109.5 1.81 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.446 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 141.44 113.77 1.03 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.039 -0.6 . . . . 0.0 112.045 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 45.0 m0 66.79 -176.52 0.2 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.949 0.404 . . . . 0.0 110.323 -178.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.415 ' O ' ' HB1' ' A' ' 73' ' ' ALA . 64.2 tt0 -125.88 125.77 24.85 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.469 -177.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.549 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 31.8 Cg_endo -67.58 105.35 1.07 Allowed 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.4 2.067 . . . . 0.0 111.615 174.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.554 HG21 HG13 ' A' ' 39' ' ' ILE . 9.8 m -81.17 151.41 4.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.813 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.454 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 37.7 mt-10 -131.11 160.44 34.69 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.843 -174.015 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.56 -27.58 60.57 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.023 0.439 . . . . 0.0 110.279 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.5 m -61.44 -28.76 69.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.672 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.9 t -136.07 18.64 3.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.833 0.349 . . . . 0.0 111.313 -174.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.454 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 8.8 p -63.7 -41.79 93.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -173.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -77.19 -35.94 55.33 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.902 -177.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.621 ' O ' ' HB2' ' A' ' 33' ' ' ARG . 18.2 t70 -61.86 -47.81 83.37 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 176.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.528 ' O ' HG22 ' A' ' 34' ' ' VAL . 61.2 t90 -54.75 -43.08 72.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.487 -178.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.55 HD11 ' CD1' ' A' ' 39' ' ' ILE . 33.9 mm -66.83 -55.02 19.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.965 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.525 ' HE3' ' HA ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -67.94 -20.26 65.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.191 0.52 . . . . 0.0 111.299 -176.806 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.621 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 23.3 ttt180 -70.19 -44.83 67.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.59 -178.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 30' ' ' TRP . 15.8 m -96.3 -32.58 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.692 -178.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.46 -53.48 0.73 Allowed Glycine 0 N--CA 1.453 -0.233 0 N-CA-C 111.671 -0.572 . . . . 0.0 111.671 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -119.95 154.51 34.37 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.686 0.279 . . . . 0.0 110.352 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.37 -166.07 37.6 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.606 -0.807 . . . . 0.0 111.761 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 96' ' ' LEU . 2.1 p -158.01 138.1 4.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.365 0.602 . . . . 0.0 111.577 -177.489 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.554 HG13 HG21 ' A' ' 22' ' ' VAL . 2.1 mp -112.21 119.66 60.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.257 174.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 tt -94.67 114.72 26.7 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.404 HD12 HG22 ' A' ' 39' ' ' ILE . 8.1 mp -82.9 125.34 31.25 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 178.248 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.9 m -84.72 -74.86 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.287 -175.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.6 m 71.71 -38.74 0.43 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.451 0.7 . . . . 0.0 112.629 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.9 t70 70.78 109.35 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.458 0 C-N-CA 123.414 0.686 . . . . 0.0 110.378 -177.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -61.88 -30.78 84.47 Favored 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 122.738 2.292 . . . . 0.0 112.529 -177.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.6 ttp180 67.26 -62.45 0.32 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.702 0.801 . . . . 0.0 111.133 -178.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.515 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 9.8 tpt180 -73.3 140.41 46.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.339 178.27 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.3 m -101.71 99.83 12.8 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.081 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.515 ' HD3' ' O ' ' A' ' 47' ' ' ARG . 92.3 Cg_endo -94.67 175.09 1.21 Allowed 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 122.891 2.394 . . . . 0.0 112.293 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -65.0 132.57 49.59 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 174.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.8 t 60.65 74.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -169.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.0 m -73.62 134.9 43.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.462 -174.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.405 ' OD2' ' HG2' ' A' ' 93' ' ' PRO . 20.7 t70 -71.74 145.53 48.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.665 177.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -163.36 115.92 1.06 Allowed Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.44 42.62 0.68 Allowed 'Trans proline' 0 CA--C 1.533 0.433 0 C-N-CA 123.158 2.572 . . . . 0.0 113.655 -175.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.0 m -97.67 -31.12 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.382 0.61 . . . . 0.0 110.333 174.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.9 mtt -58.39 -33.76 69.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.391 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.51 ' H ' HD12 ' A' ' 58' ' ' ILE . 4.3 mp -61.71 -35.46 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -177.025 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.17 -38.66 89.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 111.239 -177.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -75.41 -30.11 59.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.015 0.436 . . . . 0.0 110.195 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.64 -37.05 65.19 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.668 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.877 HD21 HG21 ' A' ' 72' ' ' VAL . 11.2 mp -46.44 -41.43 13.83 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.914 -0.585 . . . . 0.0 112.212 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.412 ' HD2' HH11 ' A' ' 63' ' ' ARG . 36.2 mtp85 -83.34 -27.24 29.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.963 0.411 . . . . 0.0 111.206 -173.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.435 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 30.3 mm-40 -94.26 2.7 55.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.534 -175.099 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -95.09 105.91 22.32 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.981 0.42 . . . . 0.0 110.34 178.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 10.7 Cg_endo -89.74 16.06 1.82 Allowed 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 123.596 2.864 . . . . 0.0 112.304 -177.158 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -99.79 -46.88 5.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.317 -175.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.674 ' HZ ' HG11 ' A' ' 124' ' ' VAL . 56.3 m-85 -132.42 165.88 23.28 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 121.313 0.578 . . . . 0.0 112.389 -169.258 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -115.31 32.71 5.88 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.497 -1.298 . . . . 0.0 107.497 169.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -59.51 166.5 2.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 114.119 -1.4 . . . . 0.0 113.811 -170.129 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -92.94 117.73 30.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.613 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.877 HG21 HD21 ' A' ' 62' ' ' LEU . 28.0 m -95.5 134.49 32.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.393 -176.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.43 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -144.26 172.7 12.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.397 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.549 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 2.1 p -145.13 144.04 21.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.157 -177.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.23 152.71 20.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.909 -177.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -69.12 163.24 25.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.769 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.9 tt -54.92 -60.32 3.53 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.932 -175.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -70.51 -38.68 74.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.754 0.312 . . . . 0.0 111.172 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -61.89 -24.66 67.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.595 -178.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.3 t -53.75 -39.97 65.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.915 174.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -63.53 -46.63 85.15 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.881 0.372 . . . . 0.0 110.363 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.96 96.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.347 -178.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.474 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 60.6 mt -69.54 -41.93 80.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.382 179.194 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.43 -39.76 97.18 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.843 178.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -63.29 -31.66 72.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.044 0.45 . . . . 0.0 110.923 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.474 ' HB3' ' O ' ' A' ' 83' ' ' ILE . 8.7 tpt180 -46.65 -46.16 19.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.367 176.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.501 ' CD1' ' HB ' ' A' ' 89' ' ' VAL . 1.5 p90 -122.43 14.61 10.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.926 -177.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.8 t30 62.9 27.89 16.15 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.501 0.667 . . . . 0.0 111.8 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.501 ' HB ' ' CD1' ' A' ' 87' ' ' PHE . 59.6 t -117.43 94.31 3.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.188 0.518 . . . . 0.0 110.087 177.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -132.26 14.17 4.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.17 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 33.6 mtp85 -81.33 101.55 9.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.073 -174.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 71.33 156.31 0.16 Allowed Pre-proline 0 N--CA 1.468 0.448 0 O-C-N 124.301 1.001 . . . . 0.0 110.735 -176.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.405 ' HG2' ' OD2' ' A' ' 53' ' ' ASP . 19.2 Cg_exo -66.39 105.35 0.87 Allowed 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.117 1.878 . . . . 0.0 110.923 175.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -110.36 146.51 35.67 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.313 -173.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.6 m -107.11 115.43 30.16 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 175.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.48 ' O ' HG23 ' A' ' 38' ' ' VAL . 94.1 mt -93.12 135.96 33.83 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -171.205 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 62.0 t -92.06 120.93 42.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.485 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.416 ' CZ ' HD13 ' A' ' 103' ' ' LEU . 95.4 m-85 -121.89 114.48 21.08 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.462 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 72.2 p -138.36 165.42 26.81 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 169.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 65.21 12.24 7.86 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.805 0.336 . . . . 0.0 110.602 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 69.79 16.0 71.87 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.021 -0.609 . . . . 0.0 111.888 -171.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -123.11 170.9 9.73 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.889 0.376 . . . . 0.0 110.792 -177.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.416 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 55.6 tp -91.9 114.53 27.1 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 174.272 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.455 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 0.8 OUTLIER -95.93 -34.29 11.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.359 -173.302 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 171.11 -152.61 18.71 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.671 -178.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.428 ' HB2' HD23 ' A' ' 96' ' ' LEU . . . -150.3 160.06 43.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.749 0.275 . . . . 0.0 110.8 -179.157 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.12 91.51 8.45 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 175.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.5 m -113.25 93.2 4.29 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.481 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -74.3 124.79 8.42 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.005 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 16.3 tt -106.38 -23.46 4.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.576 0.703 . . . . 0.0 109.607 178.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.561 ' HB2' ' CG ' ' A' ' 115' ' ' GLU . 60.2 m80 -127.82 162.3 50.31 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 174.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -69.51 85.08 0.59 Allowed 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.134 1.889 . . . . 0.0 111.488 173.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 67.9 -170.74 0.19 Allowed 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.651 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 78.22 -54.19 0.49 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.885 0.874 . . . . 0.0 111.814 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.561 ' CG ' ' HB2' ' A' ' 111' ' ' HIS . 0.0 OUTLIER -76.73 -22.26 54.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.573 0.225 . . . . 0.0 111.311 -178.253 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.9 mt -56.5 -32.82 65.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.339 175.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.73 -35.92 82.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.201 0.524 . . . . 0.0 110.074 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.5 m -79.08 -39.0 34.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.138 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.4 -48.69 79.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.522 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 13.8 tmm? -57.34 -48.25 79.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.491 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -24.97 64.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.773 -177.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 19.2 t -76.98 -37.23 55.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.792 0.329 . . . . 0.0 111.08 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 83.8 mt -78.98 -49.82 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.844 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.674 HG11 ' HZ ' ' A' ' 68' ' ' PHE . 5.8 m -125.97 73.7 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.772 0.796 . . . . 0.0 110.588 -178.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -54.79 -46.98 74.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.059 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 21.7 m 64.19 92.04 0.07 OUTLIER Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.142 174.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -78.99 105.56 1.95 Allowed 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 122.48 2.12 . . . . 0.0 111.58 175.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 73.29 158.3 0.2 Allowed 'General case' 0 N--CA 1.469 0.487 0 O-C-N 123.846 0.716 . . . . 0.0 111.388 -177.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . 65.49 22.81 11.86 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.505 0.669 . . . . 0.0 110.328 -175.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -96.21 107.66 20.03 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.396 -175.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -75.05 -66.34 0.77 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.224 -0.191 . . . . 0.0 110.562 178.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 26.0 p 52.76 -91.26 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.741 0.816 . . . . 0.0 112.466 -175.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 34.0 t 57.2 74.79 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 121.606 0.717 . . . . 0.0 109.686 -174.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 . . . . . 0 C--N 1.32 -0.694 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.657 -176.344 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.9 mtp . . . . . 0 N--CA 1.478 0.946 0 CA-C-O 120.761 0.315 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.73 101.59 12.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.077 176.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -117.36 103.32 10.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.14 0.495 . . . . 0.0 110.135 -177.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.56 ' HB3' ' HG3' ' A' ' 6' ' ' PRO . 15.4 t70 -86.79 -21.82 26.27 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.834 176.344 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.439 ' N ' ' HD3' ' A' ' 6' ' ' PRO . 5.3 m 57.82 59.89 6.56 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.407 -170.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.787 ' HG2' ' HB2' ' A' ' 9' ' ' ALA . 7.1 Cg_endo -90.44 -3.35 5.13 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 123.51 2.807 . . . . 0.0 113.215 -171.432 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 72.87 -46.35 0.65 Allowed 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.765 0.826 . . . . 0.0 111.369 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.654 ' HB2' ' HB2' ' A' ' 11' ' ' TRP . 36.0 p -152.78 68.45 0.83 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.043 0.449 . . . . 0.0 110.956 179.076 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.787 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -69.5 -50.68 42.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.656 -179.215 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.607 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 47.4 tp -67.76 -31.65 71.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.094 -178.279 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.654 ' HB2' ' HB2' ' A' ' 8' ' ' SER . 0.0 OUTLIER -53.72 -35.59 61.35 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 122.894 0.478 . . . . 0.0 111.211 -179.094 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -62.19 -45.45 93.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.143 0.497 . . . . 0.0 110.519 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.473 ' HD3' ' HA ' ' A' ' 13' ' ' ARG . 32.4 mmt180 -73.87 -27.53 61.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.212 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 56.2 mt -63.27 -38.54 91.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.075 0.464 . . . . 0.0 109.868 175.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.474 HD21 ' HZ3' ' A' ' 11' ' ' TRP . 59.8 mt -67.26 -25.34 66.02 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.274 175.512 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 30.6 m -63.93 -43.71 95.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.894 -178.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.97 131.19 6.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.746 0.308 . . . . 0.0 110.914 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.53 -77.85 0.38 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.767 172.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.538 ' CD1' HD22 ' A' ' 14' ' ' LEU . 59.6 m95 -69.31 125.95 28.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.439 0.638 . . . . 0.0 111.52 -171.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.437 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 8.3 tp60 -119.14 130.67 24.71 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.811 177.301 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.671 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 21.0 Cg_exo -65.55 111.73 1.95 Allowed 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.438 2.092 . . . . 0.0 111.791 176.499 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.515 HG13 ' HB1' ' A' ' 73' ' ' ALA . 4.6 m -81.01 -177.83 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.529 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.466 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 45.6 mt-10 -140.34 167.8 21.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.389 -173.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.68 -65.32 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -173.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.6 m -80.01 3.43 20.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.839 0.352 . . . . 0.0 111.052 -174.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.5 m -124.85 8.94 8.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.188 0.518 . . . . 0.0 110.598 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.519 ' O ' HG12 ' A' ' 31' ' ' ILE . 14.7 p -68.64 -41.26 82.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.729 -177.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -77.13 -26.11 52.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.233 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -67.87 -39.6 83.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.057 176.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.465 ' O ' HG22 ' A' ' 34' ' ' VAL . 63.3 t90 -67.17 -43.12 83.01 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.34 176.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' ' 27' ' ' VAL . 40.6 mm -61.15 -44.08 97.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 110.832 178.239 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.468 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -66.89 -23.78 66.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 176.854 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -80.78 -45.59 16.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.218 0.533 . . . . 0.0 111.031 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.495 ' HB ' ' OE1' ' A' ' 71' ' ' GLN . 33.5 m -89.96 -32.64 5.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.175 -175.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.15 -56.59 3.24 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 112.107 -0.397 . . . . 0.0 112.107 178.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -131.52 116.46 17.47 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.02 0.438 . . . . 0.0 110.415 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.31 -167.13 29.44 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.01 -177.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.553 ' HB ' ' CZ3' ' A' ' 70' ' ' TRP . 2.7 p -151.14 141.49 15.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.257 0.551 . . . . 0.0 112.138 -177.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.461 ' CD1' HD11 ' A' ' 31' ' ' ILE . 2.0 mp -110.11 122.99 65.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 174.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.497 ' HG ' HD13 ' A' ' 58' ' ' ILE . 1.2 tm? -96.94 119.17 34.92 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 176.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.434 ' HB3' ' OG ' ' A' ' 80' ' ' SER . 6.0 mp -99.68 150.01 22.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.063 -172.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.9 m 72.91 137.73 0.05 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.159 -0.928 . . . . 0.0 112.888 173.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.8 p -94.3 -7.6 41.44 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.422 178.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.43 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 5.7 p-10 -166.8 153.38 8.16 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.703 -176.431 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.632 ' HA ' ' HG3' ' A' ' 93' ' ' PRO . 2.5 Cg_endo -85.06 -166.24 0.34 Allowed 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.009 2.473 . . . . 0.0 111.725 178.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -83.02 47.01 1.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.726 0.775 . . . . 0.0 109.509 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 47' ' ' ARG . 13.8 ttm-85 -169.82 155.82 5.98 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 -176.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.441 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 5.3 t -61.59 134.34 93.69 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 120.87 0.367 . . . . 0.0 110.445 176.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.479 ' HB2' ' HA ' ' A' ' 52' ' ' SER . 7.0 Cg_exo -74.01 -3.42 13.76 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.919 2.413 . . . . 0.0 112.502 -178.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 64.94 -81.19 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.247 0 O-C-N 123.743 0.652 . . . . 0.0 111.35 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.78 -35.88 73.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.961 0.41 . . . . 0.0 109.899 177.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.479 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 16.0 m 56.16 60.91 2.95 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.235 -0.893 . . . . 0.0 113.023 172.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -154.85 97.83 1.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.942 174.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 63.94 94.44 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.382 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.488 173.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -86.21 42.8 1.0 Allowed 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.653 2.236 . . . . 0.0 111.961 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.5 m -94.93 106.21 17.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.793 0.806 . . . . 0.0 111.636 -176.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.546 ' HG2' HD23 ' A' ' 61' ' ' LEU . 48.8 ttm -84.01 -21.01 31.81 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.691 178.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.497 HD13 ' HG ' ' A' ' 40' ' ' LEU . 2.2 mp -63.42 -28.68 45.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 114.955 -1.021 . . . . 0.0 111.053 -177.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.7 -49.41 70.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.223 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -75.66 -45.62 36.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.171 0.51 . . . . 0.0 110.087 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.546 HD23 ' HG2' ' A' ' 57' ' ' MET . 1.5 mm? -53.26 -44.09 67.92 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.085 -178.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.5 tp -48.92 -50.05 37.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.234 -175.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -88.33 3.18 50.64 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -172.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -121.7 4.78 10.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.249 0.547 . . . . 0.0 110.015 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.445 ' CD2' ' HB2' ' A' ' 67' ' ' GLN . 1.3 t80 -80.2 113.38 38.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.737 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.38 -12.13 27.14 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.834 2.356 . . . . 0.0 112.678 -175.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.447 ' OE1' ' HB ' ' A' ' 126' ' ' THR . 47.8 mm-40 -74.07 -67.52 0.6 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -167.39 -178.91 4.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.043 0.449 . . . . 0.0 111.621 -173.207 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -109.73 138.49 46.01 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 169.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.553 ' CZ3' ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -141.73 160.45 40.15 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.056 -168.549 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.495 ' OE1' ' HB ' ' A' ' 34' ' ' VAL . 36.5 mt-30 -78.26 113.17 15.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.017 -171.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.8 m -92.23 140.81 15.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.739 -174.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.515 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -143.34 150.67 39.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.708 177.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.671 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 10.8 p -145.18 158.22 13.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -178.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.429 ' HB1' ' HB2' ' A' ' 79' ' ' GLN . . . -114.57 170.14 8.53 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 177.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -64.71 -67.21 0.45 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.997 0.427 . . . . 0.0 109.864 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.498 ' HG ' ' N ' ' A' ' 78' ' ' GLU . 2.5 pt? -174.45 -45.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.229 177.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.498 ' N ' ' HG ' ' A' ' 77' ' ' LEU . 36.6 tt0 -64.88 -38.41 90.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.261 -175.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.429 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . 21.4 mp0 -61.35 -27.76 68.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.412 -177.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.434 ' OG ' ' HB3' ' A' ' 41' ' ' LEU . 30.3 t -52.69 -36.7 57.71 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 123.237 0.336 . . . . 0.0 111.878 -175.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -70.87 -54.8 10.16 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.552 -178.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.19 -39.45 92.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.906 -178.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 67.5 mt -60.65 -44.45 97.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-O 121.175 0.512 . . . . 0.0 110.213 177.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.47 ' HA3' ' H ' ' A' ' 90' ' ' ARG . . . -71.32 -28.5 69.76 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.192 177.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -71.09 -28.88 64.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.941 0.401 . . . . 0.0 110.599 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -44.45 -36.56 2.96 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.901 175.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.583 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 0.1 OUTLIER -109.03 -75.04 0.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 170.571 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.583 ' HB2' ' O ' ' A' ' 87' ' ' PHE . 34.9 t-20 167.14 75.59 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.393 0.677 . . . . 0.0 109.983 172.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 96.0 t -141.1 -50.44 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.801 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.47 ' H ' ' HA3' ' A' ' 84' ' ' GLY . 99.6 mtt180 69.4 -158.75 0.17 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.12 -179.343 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.35 92.29 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.497 0.665 . . . . 0.0 112.656 -173.419 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -134.79 123.58 16.17 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 114.854 -1.066 . . . . 0.0 108.836 170.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.632 ' HG3' ' HA ' ' A' ' 45' ' ' PRO . 19.6 Cg_endo -61.46 100.89 0.19 Allowed 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.432 2.088 . . . . 0.0 112.339 -178.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -158.87 169.25 24.77 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.802 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 47.9 m -110.81 116.92 32.1 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.493 -178.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.431 ' O ' HG23 ' A' ' 38' ' ' VAL . 85.4 mt -96.85 124.72 40.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.847 0.356 . . . . 0.0 110.28 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.411 ' CG2' HD23 ' A' ' 107' ' ' LEU . 74.9 t -92.42 117.65 36.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.784 -177.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.414 ' CZ ' HD13 ' A' ' 103' ' ' LEU . 94.7 m-85 -113.21 105.45 13.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.331 179.24 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.636 ' OG1' ' HG3' ' A' ' 104' ' ' ARG . 62.3 p -133.55 167.12 21.05 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.434 ' HB2' ' O ' ' A' ' 99' ' ' THR . 11.5 m-20 68.47 9.07 7.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.722 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.22 8.18 81.96 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.537 -175.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -142.7 174.56 10.54 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 117.374 0.587 . . . . 0.0 112.2 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.414 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 58.9 tp -79.63 127.3 32.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.62 174.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.681 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 1.2 mmp_? -105.65 -47.09 3.99 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.385 -176.437 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.73 ' HA3' HD12 ' A' ' 123' ' ' ILE . . . -174.94 -164.96 30.53 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.358 -0.925 . . . . 0.0 112.555 -178.329 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -134.68 147.11 50.04 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.635 0.255 . . . . 0.0 111.055 -177.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.861 HD12 HD23 ' A' ' 116' ' ' LEU . 4.1 mm? -115.9 154.8 29.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.793 178.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.4 ' HB2' ' OE1' ' A' ' 115' ' ' GLU . 37.7 m -110.45 -63.72 1.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.698 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.519 ' HA2' ' HG ' ' A' ' 116' ' ' LEU . . . 80.03 -70.81 2.86 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 111.67 -0.572 . . . . 0.0 111.67 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 48.8 mt 67.12 -72.98 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.141 0.576 . . . . 0.0 110.95 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.691 ' HB2' ' HD3' ' A' ' 112' ' ' PRO . 27.3 m80 -152.25 -57.85 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.375 0 C-N-CA 122.576 0.35 . . . . 0.0 111.154 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.691 ' HD3' ' HB2' ' A' ' 111' ' ' HIS . 9.2 Cg_endo -88.87 149.0 5.86 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 122.511 2.14 . . . . 0.0 112.352 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.425 ' CH2' HD13 ' A' ' 61' ' ' LEU . 2.0 t-105 -80.4 35.89 0.35 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.172 0.51 . . . . 0.0 110.273 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.37 -48.69 15.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.472 -174.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.4 ' OE1' ' HB2' ' A' ' 108' ' ' SER . 0.0 OUTLIER -96.41 -22.47 17.14 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.871 -177.351 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.861 HD23 HD12 ' A' ' 107' ' ' LEU . 46.0 mt -53.22 -46.17 68.97 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.768 175.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.39 -44.15 95.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.003 0.43 . . . . 0.0 109.944 -179.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.2 m -67.33 -51.19 55.45 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.593 -178.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.71 -42.19 91.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 -176.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 54.9 ttp -56.04 -41.72 75.42 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.151 177.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -60.63 -39.62 88.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.016 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.5 t -76.12 -44.52 38.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.224 -178.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.73 HD12 ' HA3' ' A' ' 105' ' ' GLY . 51.3 mm -75.48 -49.2 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.33 -175.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.9 m -136.76 77.35 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.184 0.516 . . . . 0.0 110.386 -178.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -56.75 -58.35 8.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.366 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.447 ' HB ' ' OE1' ' A' ' 67' ' ' GLN . 8.9 m 36.5 78.58 0.34 Allowed Pre-proline 0 N--CA 1.467 0.38 0 O-C-N 124.633 1.208 . . . . 0.0 112.883 175.088 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -77.0 -16.99 15.62 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.082 1.855 . . . . 0.0 112.231 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 68.42 -62.96 0.36 Allowed 'General case' 0 N--CA 1.467 0.418 0 O-C-N 124.049 0.843 . . . . 0.0 110.655 -176.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -161.41 -88.33 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 174.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -150.41 127.73 11.37 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 172.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -90.18 148.2 23.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.909 0.385 . . . . 0.0 110.717 -176.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 23.7 m -91.58 119.32 31.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.032 -178.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 18.3 m -106.43 131.9 54.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 171.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.409 -174.805 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.2 ptt? . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 67.4 -73.84 0.08 Allowed 'General case' 0 N--CA 1.469 0.511 0 O-C-N 123.933 0.77 . . . . 0.0 111.173 -177.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 61.34 26.02 15.89 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.015 0.526 . . . . 0.0 111.163 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.417 ' O ' ' HD3' ' A' ' 6' ' ' PRO . 17.0 t70 -154.79 153.91 31.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.046 -178.102 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 p -110.95 92.15 14.31 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 120.817 0.341 . . . . 0.0 110.962 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 4' ' ' ASP . 96.5 Cg_endo -93.72 4.37 3.0 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 123.167 2.578 . . . . 0.0 113.379 -176.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 60.65 -166.68 0.2 Allowed 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 122.458 0.303 . . . . 0.0 110.513 -177.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.8 m 61.35 -80.08 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.217 0.607 . . . . 0.0 112.56 175.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.577 ' O ' ' HG2' ' A' ' 13' ' ' ARG . . . -59.15 -28.86 66.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.334 -177.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.5 tp -59.63 -41.12 89.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.583 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 27.1 t-105 -66.89 -43.2 84.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.924 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -59.87 -36.29 76.59 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.275 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.577 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 22.3 mmt180 -64.21 -28.78 69.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.983 -178.039 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.1 mt -68.16 -42.67 79.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.869 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.683 ' HA ' ' O ' ' A' ' 18' ' ' GLY . 11.3 mp -60.94 -26.13 67.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.718 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.3 m -62.7 -37.94 88.46 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 120.875 0.369 . . . . 0.0 110.264 178.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -80.06 -38.62 31.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.276 0.56 . . . . 0.0 110.134 174.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.683 ' O ' ' HA ' ' A' ' 15' ' ' LEU . . . 158.04 -108.09 0.35 Allowed Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 -178.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.432 ' HE3' ' HB ' ' A' ' 74' ' ' VAL . 25.2 m95 60.14 107.71 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.85 0.834 . . . . 0.0 112.417 173.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -94.32 113.78 61.68 Favored Pre-proline 0 C--N 1.31 -1.115 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.879 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.575 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 9.7 Cg_exo -68.58 109.88 2.17 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 122.2 1.934 . . . . 0.0 111.159 177.007 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.482 HG23 ' HB2' ' A' ' 75' ' ' ALA . 5.8 m -92.21 -177.96 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.653 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -141.81 167.66 21.6 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.389 -172.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.49 -38.08 41.72 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.203 176.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.8 m -80.2 -9.74 59.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.232 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 m -122.99 1.83 9.29 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -174.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.6 p -68.02 -37.56 78.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 O-C-N 121.994 -0.441 . . . . 0.0 111.308 -177.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -67.42 -48.85 66.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.399 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -71.57 -32.45 68.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.521 -176.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.517 ' O ' HG22 ' A' ' 34' ' ' VAL . 36.0 t90 -64.43 -49.9 69.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.59 0.233 . . . . 0.0 110.451 -179.527 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.43 HD11 ' CD1' ' A' ' 39' ' ' ILE . 45.9 mm -62.44 -38.68 81.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.185 0.517 . . . . 0.0 110.112 177.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -58.06 -38.76 76.94 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.026 176.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -80.93 -47.17 14.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.101 -171.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 30' ' ' TRP . 30.2 m -95.42 -46.6 13.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -175.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.22 -56.02 2.1 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 121.064 -0.589 . . . . 0.0 112.148 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -103.05 129.77 49.96 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.701 0.286 . . . . 0.0 110.771 -176.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.37 179.94 38.82 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.188 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.547 HG12 ' HA ' ' A' ' 97' ' ' VAL . 10.3 m -136.07 125.9 40.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.728 0.299 . . . . 0.0 111.491 -177.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.433 HG22 HD12 ' A' ' 41' ' ' LEU . 2.3 mp -98.15 121.05 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.403 ' HG ' ' OG1' ' A' ' 95' ' ' THR . 2.0 tt -89.98 113.22 24.84 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 175.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.433 HD12 HG22 ' A' ' 39' ' ' ILE . 7.9 mp -86.39 125.76 33.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.988 -177.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.579 ' HB3' ' HB3' ' A' ' 93' ' ' PRO . 35.3 t 68.87 151.6 0.09 Allowed 'General case' 0 CA--C 1.53 0.205 0 O-C-N 124.067 0.854 . . . . 0.0 111.806 178.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.1 m -90.26 119.23 30.39 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.7 t70 75.12 140.71 0.08 OUTLIER Pre-proline 0 N--CA 1.469 0.506 0 O-C-N 123.998 0.812 . . . . 0.0 110.695 -178.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.55 ' HA ' ' HB2' ' A' ' 93' ' ' PRO . 37.2 Cg_endo -65.28 1.22 2.15 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 123.1 2.533 . . . . 0.0 113.455 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 69.35 20.69 7.26 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 123.015 0.526 . . . . 0.0 110.838 173.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -77.4 -52.89 8.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.765 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.1 m 60.05 71.69 0.85 Allowed Pre-proline 0 CA--C 1.537 0.442 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.708 -177.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.77 ' HD2' ' HA ' ' A' ' 52' ' ' SER . 39.0 Cg_endo -70.88 -27.24 21.39 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.195 1.93 . . . . 0.0 111.986 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -174.09 -72.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.828 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.0 p -99.45 -10.56 8.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 176.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.77 ' HA ' ' HD2' ' A' ' 49' ' ' PRO . 15.3 m 72.65 95.29 0.07 Allowed 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 114.739 -1.119 . . . . 0.0 110.526 -178.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -75.14 94.4 2.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.309 178.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -63.85 136.07 96.57 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.886 -175.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.403 ' HB2' ' CD1' ' A' ' 58' ' ' ILE . 48.2 Cg_endo -69.42 97.27 0.6 Allowed 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.914 2.409 . . . . 0.0 112.939 -176.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.6 t -103.88 -12.76 9.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.467 0.651 . . . . 0.0 109.292 176.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.468 ' O ' ' HB2' ' A' ' 61' ' ' LEU . 60.5 mmm -56.78 -20.2 21.08 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.085 -0.961 . . . . 0.0 113.157 -177.229 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.532 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 5.2 mp -68.18 -21.61 26.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-O 120.995 0.426 . . . . 0.0 110.525 -176.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.28 -57.08 11.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.823 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -70.66 -30.29 66.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.717 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.532 ' HB2' ' HA ' ' A' ' 58' ' ' ILE . 0.6 OUTLIER -52.96 -33.13 49.63 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.515 -177.818 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 tt -46.43 -53.74 10.48 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.652 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -90.1 -3.04 58.15 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -178.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -74.86 -20.66 59.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.988 0.423 . . . . 0.0 109.894 174.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.517 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 4.9 t80 -74.54 116.97 58.35 Favored Pre-proline 0 N--CA 1.451 -0.396 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.517 ' HD3' ' HA ' ' A' ' 65' ' ' PHE . 2.8 Cg_exo -75.79 16.06 0.82 Allowed 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 123.55 2.834 . . . . 0.0 113.445 -174.141 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -109.9 -69.53 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -153.7 167.34 29.91 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -172.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -86.67 109.7 19.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.582 174.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -105.9 158.31 16.86 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.032 0.444 . . . . 0.0 111.267 178.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -76.33 110.0 10.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.396 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.9 t -76.12 118.98 23.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.039 175.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.478 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -118.33 143.58 46.5 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.93 -178.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.575 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 3.2 p -126.76 131.75 70.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.802 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.482 ' HB2' HG23 ' A' ' 22' ' ' VAL . . . -112.67 144.65 41.81 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.911 0.386 . . . . 0.0 111.26 -177.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.494 ' HB3' ' OE1' ' A' ' 79' ' ' GLN . 14.1 t70 -67.16 154.1 42.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.038 175.323 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.543 HD12 ' N ' ' A' ' 78' ' ' GLU . 2.6 pp -59.76 -31.01 69.26 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -175.093 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.543 ' N ' HD12 ' A' ' 77' ' ' LEU . 29.9 tt0 -73.47 -45.71 52.55 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.214 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.494 ' OE1' ' HB3' ' A' ' 76' ' ' ASP . 1.5 mp0 -64.33 -35.09 79.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.727 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.8 m -61.99 -29.01 69.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.922 -178.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -65.74 -44.25 86.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.034 0.445 . . . . 0.0 110.234 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.14 -41.84 66.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.721 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 84.7 mt -59.37 -43.4 90.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.184 0.516 . . . . 0.0 110.135 176.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.568 ' HA2' HG12 ' A' ' 89' ' ' VAL . . . -67.4 -28.39 73.64 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.66 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -77.03 -31.61 56.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.818 0.342 . . . . 0.0 110.906 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -44.92 -45.6 10.48 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.493 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -124.03 11.41 8.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.196 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 66.7 t30 56.21 68.18 0.9 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.788 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.568 HG12 ' HA2' ' A' ' 84' ' ' GLY . 6.5 p -110.32 12.26 8.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.138 178.412 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -55.18 101.41 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.445 -177.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -149.22 -69.93 0.21 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.525 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -149.99 154.02 36.41 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.28 177.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.579 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 32.0 Cg_exo -59.19 116.99 3.66 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.582 2.188 . . . . 0.0 111.833 177.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -140.71 171.79 13.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.554 -176.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.494 HG22 ' HB ' ' A' ' 38' ' ' VAL . 10.1 m -108.05 120.71 43.1 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 176.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.415 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 94.3 mt -91.57 134.01 35.04 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 120.704 -0.399 . . . . 0.0 111.108 -174.217 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.547 ' HA ' HG12 ' A' ' 38' ' ' VAL . 67.1 t -98.64 114.2 35.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.919 -176.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.427 ' CE1' HD13 ' A' ' 39' ' ' ILE . 44.3 m-85 -109.36 120.98 44.16 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.549 179.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.2 p -124.31 127.16 47.21 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.256 178.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.3 t70 68.09 10.88 8.1 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.553 0.692 . . . . 0.0 110.31 -177.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 93.61 -5.97 73.96 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.441 -174.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -100.3 133.85 44.11 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 120.914 0.388 . . . . 0.0 110.447 -178.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 61.2 tp -86.51 108.61 18.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.874 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.9 mtp180 -94.24 -35.0 12.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.564 -177.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -175.83 -154.57 11.63 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 119.999 -1.096 . . . . 0.0 113.105 -177.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -133.46 161.34 34.84 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.908 0.385 . . . . 0.0 111.111 -176.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 107' ' ' LEU . 0.2 OUTLIER -98.17 74.86 2.26 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.459 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 45.7 m -155.67 137.23 14.15 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.057 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -157.41 -159.1 9.31 Favored Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.81 -0.709 . . . . 0.0 111.781 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.515 ' O ' ' HB2' ' A' ' 111' ' ' HIS . 41.2 mm -101.27 144.49 12.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.515 ' HB2' ' O ' ' A' ' 110' ' ' ILE . 81.2 m-70 79.13 151.15 0.12 Allowed Pre-proline 0 N--CA 1.47 0.558 0 O-C-N 123.988 0.805 . . . . 0.0 110.538 -174.317 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 111' ' ' HIS . 5.3 Cg_exo -76.07 4.86 4.92 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 123.026 2.484 . . . . 0.0 113.092 -178.086 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 29.6 t-105 -176.15 176.7 1.68 Allowed 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 177.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 74.91 18.96 2.51 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.994 0.809 . . . . 0.0 110.512 -178.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.5 -39.46 9.14 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.011 179.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 70.1 mt -50.73 -44.78 58.33 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.041 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -56.93 -42.87 80.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.068 0.461 . . . . 0.0 111.24 -176.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.3 m -77.53 -37.39 51.01 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.984 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 91.2 mt -71.56 -43.37 66.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.575 -177.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 26.2 ptm -61.49 -42.76 99.29 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.884 -176.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.456 ' HA ' ' HB2' ' A' ' 125' ' ' ASP . 8.1 mmm180 -52.09 -44.34 64.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.016 0.436 . . . . 0.0 111.38 -178.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 42.4 t -76.54 -53.71 7.69 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.984 178.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.601 HG22 HG23 ' A' ' 124' ' ' VAL . 61.8 mt -88.62 -52.0 11.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -167.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.601 HG23 HG22 ' A' ' 123' ' ' ILE . 21.3 t -139.37 77.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.166 0.508 . . . . 0.0 110.427 -175.457 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.456 ' HB2' ' HA ' ' A' ' 121' ' ' ARG . 36.1 t70 -102.03 -60.09 1.59 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.708 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 44.9 m 71.98 128.79 0.03 OUTLIER Pre-proline 0 CA--C 1.529 0.171 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.433 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.439 ' HB3' ' H ' ' A' ' 131' ' ' GLU . 30.5 Cg_endo -65.95 81.03 0.27 Allowed 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.288 1.992 . . . . 0.0 111.988 174.241 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.93 -41.9 74.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.321 175.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -98.22 -69.11 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.326 172.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.64 108.16 0.03 OUTLIER 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 175.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.439 ' H ' ' HB3' ' A' ' 127' ' ' PRO . 10.2 tp10 -166.8 107.73 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.802 -177.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.692 HG22 HG23 ' A' ' 133' ' ' VAL . 34.7 m 70.55 131.5 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.337 0 O-C-N 123.664 0.603 . . . . 0.0 111.977 174.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.692 HG23 HG22 ' A' ' 132' ' ' THR . 86.4 t 75.74 -36.95 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 123.137 0.575 . . . . 0.0 111.341 178.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 . . . . . 0 N--CA 1.465 0.275 0 C-N-CA 123.454 0.702 . . . . 0.0 110.267 179.787 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptt? . . . . . 0 N--CA 1.483 1.185 0 N-CA-C 110.682 -0.118 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 55.86 97.39 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.321 0.648 . . . . 0.0 111.948 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 41.1 t30 56.43 75.84 0.33 Allowed 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 -171.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -118.22 95.24 4.8 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.314 -166.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 m 61.71 95.93 0.05 OUTLIER Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.54 171.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -74.15 108.68 2.72 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.152 1.901 . . . . 0.0 111.608 175.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -136.01 151.51 49.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.002 0.429 . . . . 0.0 111.48 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.0 m -78.76 -9.54 59.47 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.447 0.641 . . . . 0.0 110.199 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 -26.0 61.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.296 177.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.57 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 47.4 tp -55.26 -30.72 60.65 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.422 -179.076 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.4 ' CH2' HG13 ' A' ' 74' ' ' VAL . 0.7 OUTLIER -55.14 -39.76 69.81 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.961 0.41 . . . . 0.0 110.613 178.784 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -63.21 -40.56 97.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.805 0.336 . . . . 0.0 110.271 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -69.62 -41.45 75.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.039 177.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 86.6 mt -60.93 -44.83 96.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.571 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.98 -27.05 68.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.809 178.261 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 54.7 m -75.26 -27.08 59.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -140.66 97.18 3.15 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.601 -0.439 . . . . 0.0 112.038 -173.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.9 -63.77 1.49 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.775 -0.726 . . . . 0.0 114.228 169.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.402 ' CG ' ' HB3' ' A' ' 14' ' ' LEU . 32.2 m95 -60.53 125.0 22.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.323 0.583 . . . . 0.0 111.964 -171.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.412 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 78.4 mt-30 -102.01 125.98 35.13 Favored Pre-proline 0 N--CA 1.449 -0.505 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.203 -177.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.758 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 10.8 Cg_exo -70.69 119.52 6.4 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.635 2.223 . . . . 0.0 111.339 172.168 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.423 HG21 HG13 ' A' ' 39' ' ' ILE . 10.9 m -105.51 166.28 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.43 0.633 . . . . 0.0 112.001 -177.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.463 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 41.9 mt-10 -139.94 162.1 36.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.525 -174.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.43 ' HB2' ' HA ' ' A' ' 83' ' ' ILE . . . -70.13 -18.32 63.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.049 0.452 . . . . 0.0 111.384 -178.061 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.8 p -84.12 -61.53 1.79 Allowed 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.281 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.0 t -71.11 -18.92 62.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.994 -175.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.463 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 8.2 p -62.6 -26.86 41.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-O 120.722 0.296 . . . . 0.0 110.955 -177.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.414 ' HB2' ' NH2' ' A' ' 86' ' ' ARG . 10.3 t70 -61.85 -49.57 75.71 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.205 0.526 . . . . 0.0 110.045 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.519 ' O ' ' HB2' ' A' ' 33' ' ' ARG . 28.9 t70 -75.54 -36.7 60.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.192 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.441 ' O ' HG22 ' A' ' 34' ' ' VAL . 64.8 t90 -59.33 -51.39 70.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.13 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.7 mm -60.49 -46.32 95.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.955 0.407 . . . . 0.0 110.809 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.448 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -68.24 -21.65 64.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.804 -179.251 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.519 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -77.45 -36.85 52.58 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.255 -177.045 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 30' ' ' TRP . 6.3 m -105.51 -46.98 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.897 -177.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.3 -36.11 4.6 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.426 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.451 ' OD2' ' HA ' ' A' ' 70' ' ' TRP . 10.1 p-10 -126.23 156.96 39.45 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 122.396 0.278 . . . . 0.0 110.289 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.59 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . 149.39 -178.61 26.8 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.913 176.27 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 97' ' ' VAL . 12.1 m -138.19 133.96 44.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.922 0.392 . . . . 0.0 111.368 -179.329 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.477 HD13 ' CE1' ' A' ' 98' ' ' PHE . 1.9 mp -106.6 117.01 51.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 174.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.519 ' HB3' HG23 ' A' ' 74' ' ' VAL . 1.8 tt -93.48 123.91 37.11 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 93' ' ' PRO . 9.2 mp -91.03 123.67 34.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.707 -0.224 . . . . 0.0 110.467 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.9 t 66.25 -179.27 0.2 Allowed 'General case' 0 CA--C 1.532 0.28 0 O-C-N 123.917 0.761 . . . . 0.0 110.646 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.6 m -100.5 -56.4 2.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.014 0.435 . . . . 0.0 109.906 176.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -159.85 159.35 27.44 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.146 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -80.5 125.08 5.49 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 122.098 1.865 . . . . 0.0 110.319 170.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.461 ' NE ' ' HA ' ' A' ' 46' ' ' ARG . 2.1 mmp_? -55.17 -87.94 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 O-C-N 123.4 0.437 . . . . 0.0 111.401 -175.178 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.517 ' HG2' ' O ' ' A' ' 47' ' ' ARG . 30.0 ttp85 62.88 -5.38 0.2 Allowed 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 174.684 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.0 m 71.94 85.06 0.12 Allowed Pre-proline 0 CA--C 1.536 0.422 0 C-N-CA 123.063 0.545 . . . . 0.0 109.888 -168.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -75.21 171.37 18.41 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.368 2.712 . . . . 0.0 111.967 -177.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -165.28 -74.25 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.4 m -83.55 61.63 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -169.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.1 m 58.38 34.03 23.65 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.106 174.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -85.09 27.97 0.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.583 0.706 . . . . 0.0 110.697 178.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.423 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 53.2 t30 -96.33 135.95 22.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.418 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.485 ' HA ' ' SD ' ' A' ' 57' ' ' MET . 14.4 Cg_exo -70.55 99.54 0.84 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.81 2.34 . . . . 0.0 113.005 179.143 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.9 t -117.37 -3.51 10.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.616 0.722 . . . . 0.0 109.866 178.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.485 ' SD ' ' HA ' ' A' ' 55' ' ' PRO . 1.6 mpt? -58.39 -37.37 75.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.382 -0.827 . . . . 0.0 111.865 -173.692 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.569 ' H ' HD12 ' A' ' 58' ' ' ILE . 4.3 mp -63.71 -31.99 55.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.419 -171.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.35 -52.52 63.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.338 . . . . 0.0 111.237 -177.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -75.48 -29.64 59.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.987 0.422 . . . . 0.0 110.09 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 28.1 tp -52.56 -44.11 65.64 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.37 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 64.6 tp -50.04 -40.04 43.76 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.684 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -86.94 -28.47 22.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.493 -177.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -76.87 -38.04 54.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.007 -178.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.02 110.21 2.79 Favored Pre-proline 0 CA--C 1.529 0.147 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.982 -175.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -86.3 0.26 8.13 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.724 2.283 . . . . 0.0 112.721 -175.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -78.87 -48.5 14.55 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.799 -177.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.456 ' HE1' ' CE3' ' A' ' 70' ' ' TRP . 0.1 OUTLIER -172.52 162.58 5.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.347 -179.444 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -92.45 83.89 5.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.534 174.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.59 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . 0.1 OUTLIER -76.53 159.19 30.57 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.294 0.568 . . . . 0.0 112.108 -177.186 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -77.96 113.49 15.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.261 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 63.8 t -90.62 122.43 41.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.603 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.405 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -138.59 157.97 45.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.723 178.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.758 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 4.1 p -145.14 145.48 20.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -177.221 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.406 ' HB1' ' HB2' ' A' ' 79' ' ' GLN . . . -88.68 147.13 24.67 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.712 178.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -53.78 -74.62 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.299 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.2 tp -168.73 -62.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.614 176.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -61.36 -33.48 73.71 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.022 0.439 . . . . 0.0 110.205 175.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.493 ' O ' HG13 ' A' ' 83' ' ' ILE . 91.6 mt-30 -59.69 -37.12 77.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.648 178.108 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.9 m -61.89 -31.25 71.52 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.337 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.769 ' HG3' ' HD3' ' A' ' 91' ' ' ARG . 38.5 tt0 -63.9 -41.52 97.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.163 -179.498 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.23 -36.85 66.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.756 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 79' ' ' GLN . 68.7 mt -63.23 -42.58 96.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.298 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.15 -36.53 92.51 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.513 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -72.15 -31.79 66.3 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.182 0.515 . . . . 0.0 110.691 -178.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.414 ' NH2' ' HB2' ' A' ' 28' ' ' ASP . 9.6 tpt85 -49.19 -40.96 35.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.975 -1.012 . . . . 0.0 111.524 -177.675 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.424 ' HD1' HG23 ' A' ' 89' ' ' VAL . 2.9 p90 -124.29 17.41 9.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.626 -179.059 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 47.2 t30 60.41 76.75 0.35 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.498 176.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.424 HG23 ' HD1' ' A' ' 87' ' ' PHE . 86.2 t -143.04 143.31 25.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 172.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -67.24 157.34 34.07 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.739 0.304 . . . . 0.0 110.462 178.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.769 ' HD3' ' HG3' ' A' ' 81' ' ' GLU . 18.4 mtm180 -75.19 90.76 2.57 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.171 0.51 . . . . 0.0 111.451 -172.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -122.71 146.02 46.81 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.098 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.416 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 55.3 Cg_endo -72.17 106.8 2.11 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.308 2.006 . . . . 0.0 111.721 176.11 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.452 ' HA ' ' HA ' ' A' ' 108' ' ' SER . . . -155.19 156.14 35.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.492 -178.086 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.443 HG22 ' HB ' ' A' ' 38' ' ' VAL . 8.2 m -101.88 125.71 48.62 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.887 177.554 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.564 HD23 ' HB2' ' A' ' 106' ' ' ALA . 39.7 mt -91.74 131.16 37.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.456 -179.287 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.495 ' HA ' HG12 ' A' ' 38' ' ' VAL . 95.0 t -93.85 117.91 38.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.66 179.336 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.54 ' HE1' ' HB2' ' A' ' 96' ' ' LEU . 87.0 m-85 -115.51 122.84 46.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.794 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.1 p -137.38 155.63 49.15 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 172.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 67.31 10.8 8.0 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.969 0.414 . . . . 0.0 110.959 177.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 76.94 15.01 82.03 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.909 -0.662 . . . . 0.0 111.757 -173.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -128.65 164.08 23.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.954 0.407 . . . . 0.0 110.808 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.438 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 61.0 tp -90.75 125.4 35.68 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.288 -179.336 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.44 ' HB3' HG23 ' A' ' 123' ' ' ILE . 33.0 mmt180 -92.02 -40.47 11.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.01 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 169.44 -173.01 43.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.211 -0.995 . . . . 0.0 112.644 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.564 ' HB2' HD23 ' A' ' 96' ' ' LEU . . . -128.91 138.58 52.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.881 0.372 . . . . 0.0 111.475 -178.415 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -122.89 124.63 43.68 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 174.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.452 ' HA ' ' HA ' ' A' ' 94' ' ' ALA . 10.6 p -77.39 -78.91 0.12 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.791 0.329 . . . . 0.0 111.755 -177.274 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -154.97 73.07 0.25 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.88 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 9.4 tp -67.92 140.26 19.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.042 0.449 . . . . 0.0 110.765 -177.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.618 ' HB2' ' HD3' ' A' ' 112' ' ' PRO . 33.3 m80 -110.44 -51.15 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.448 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.618 ' HD3' ' HB2' ' A' ' 111' ' ' HIS . 34.0 Cg_exo -61.91 152.96 71.67 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 122.067 1.845 . . . . 0.0 112.115 175.548 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -122.47 -169.39 1.89 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 70.91 -54.11 0.66 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.24 0.616 . . . . 0.0 111.494 -177.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.41 -24.51 67.44 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.065 0.46 . . . . 0.0 110.74 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.0 mt -56.28 -31.76 63.93 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.509 177.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.31 -39.4 86.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.644 0.259 . . . . 0.0 110.837 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 32.3 m -68.46 -44.08 75.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.668 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 91.3 mt -68.94 -43.96 74.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.771 -179.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 47.4 ttp -61.5 -33.93 74.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.808 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.448 ' O ' ' HB2' ' A' ' 125' ' ' ASP . 7.4 tpt180 -59.68 -43.82 93.86 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -177.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 40.6 m -68.42 -29.86 68.62 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-O 120.997 0.427 . . . . 0.0 111.207 178.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.44 HG23 ' HB3' ' A' ' 104' ' ' ARG . 75.2 mt -74.49 -49.82 29.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.999 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 4.4 m -132.8 74.14 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.568 0.699 . . . . 0.0 110.893 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 121' ' ' ARG . 30.2 t70 -81.31 -39.21 25.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.636 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.572 ' HB ' ' HD2' ' A' ' 127' ' ' PRO . 43.4 p 55.77 -179.55 0.03 OUTLIER Pre-proline 0 N--CA 1.471 0.601 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.984 -179.317 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.572 ' HD2' ' HB ' ' A' ' 126' ' ' THR . 23.5 Cg_exo -66.07 77.62 0.31 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 121.767 1.645 . . . . 0.0 111.375 170.105 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 67.72 103.91 0.05 OUTLIER 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.942 0.776 . . . . 0.0 111.349 -179.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.06 155.71 39.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.549 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -85.5 22.92 1.45 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.941 -174.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -140.65 148.11 40.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.761 0.315 . . . . 0.0 110.599 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 21.5 m -119.97 128.04 53.21 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.029 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 7.6 m -75.81 102.25 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.347 0.594 . . . . 0.0 111.014 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.534 -177.719 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.877 0.37 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.03 -31.8 30.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.763 -174.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 69.6 165.6 0.27 Allowed 'General case' 0 N--CA 1.47 0.534 0 O-C-N 123.864 0.727 . . . . 0.0 109.624 -174.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -90.12 110.02 21.05 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 178.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.448 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 4.0 t -136.01 142.81 41.66 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.486 -174.006 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 9.5 Cg_exo -72.47 178.14 6.56 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 123.031 2.487 . . . . 0.0 111.186 173.022 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -88.22 176.22 7.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.07 0.462 . . . . 0.0 111.165 -177.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.659 ' HB2' ' HB2' ' A' ' 11' ' ' TRP . 45.6 m -72.47 162.86 28.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.198 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.81 -47.07 64.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.688 -178.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.74 ' HG ' ' HB2' ' A' ' 54' ' ' ASN . 4.4 mm? -67.98 -28.39 67.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.231 178.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.659 ' HB2' ' HB2' ' A' ' 8' ' ' SER . 0.6 OUTLIER -57.57 -44.56 85.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.527 175.571 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -70.02 -35.28 74.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.452 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -63.29 -36.56 84.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.731 177.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 95.1 mt -60.32 -42.95 96.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.596 178.039 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 18' ' ' GLY . 96.7 mt -60.07 -34.51 73.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.185 -179.183 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.5 m -66.15 -25.86 67.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.919 178.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -108.41 22.29 16.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.484 0.659 . . . . 0.0 110.122 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 15' ' ' LEU . . . 106.59 -126.96 8.68 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.165 178.448 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.3 m95 67.47 129.61 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.594 0.712 . . . . 0.0 111.887 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -111.54 113.63 53.24 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.445 178.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.634 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 24.8 Cg_exo -64.64 104.86 0.58 Allowed 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 122.268 1.979 . . . . 0.0 110.777 171.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.525 HG21 HG13 ' A' ' 39' ' ' ILE . 2.6 m -82.01 170.52 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -178.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.629 ' HG2' HE22 ' A' ' 79' ' ' GLN . 38.1 mt-10 -138.0 159.62 41.54 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.821 -174.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.52 -6.97 59.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.277 0.56 . . . . 0.0 109.958 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 m -77.76 -43.22 31.46 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.365 -177.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.3 p -116.84 8.36 13.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.843 -174.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.493 ' O ' HG12 ' A' ' 31' ' ' ILE . 7.4 p -54.38 -42.92 60.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.608 -177.121 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.94 -47.61 85.08 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.764 -178.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -75.11 -38.38 61.17 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 -177.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.568 ' O ' HG22 ' A' ' 34' ' ' VAL . 72.0 t90 -59.1 -49.45 77.81 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -178.635 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 27' ' ' VAL . 43.6 mm -56.81 -45.69 83.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 121.044 0.45 . . . . 0.0 110.815 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.434 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -68.16 -32.7 73.15 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.085 -179.62 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -44.43 37.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.019 -176.072 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.568 HG22 ' O ' ' A' ' 30' ' ' TRP . 34.6 m -84.71 -37.02 12.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.328 -177.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.7 -48.41 2.3 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.28 177.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -125.62 167.37 15.18 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.635 0.255 . . . . 0.0 110.499 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.85 177.03 15.75 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.318 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.5 m -135.81 127.4 44.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.954 0.407 . . . . 0.0 111.274 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.525 HG13 HG21 ' A' ' 22' ' ' VAL . 2.1 mp -96.1 111.76 26.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 172.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.53 HD12 HG23 ' A' ' 74' ' ' VAL . 2.8 tm? -89.59 109.69 20.62 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 177.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.3 mp -75.46 148.42 39.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.701 176.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.42 ' OG ' ' HA ' ' A' ' 77' ' ' LEU . 4.0 m -54.19 103.05 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.303 0.377 . . . . 0.0 110.081 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.57 ' HA ' ' HB2' ' A' ' 93' ' ' PRO . 11.3 m -73.58 -0.81 16.37 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -168.153 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.0 t70 65.47 101.04 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.488 0 O-C-N 123.632 0.582 . . . . 0.0 111.467 177.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -76.16 80.99 2.54 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 122.435 2.09 . . . . 0.0 111.273 176.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -81.96 42.4 0.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.542 -177.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 64.58 18.62 11.48 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.533 0.683 . . . . 0.0 110.902 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.1 m -61.86 135.12 94.36 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.795 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -59.96 -20.97 62.76 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 123.373 2.715 . . . . 0.0 113.154 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -127.39 163.6 23.68 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 51' ' ' VAL . 14.0 t 63.65 27.37 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 122.484 1.135 . . . . 0.0 108.553 -171.473 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.2 m -82.58 100.84 10.38 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 114.712 -1.131 . . . . 0.0 110.688 -178.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.464 ' CG ' ' HB3' ' A' ' 8' ' ' SER . 0.6 OUTLIER 75.07 -49.69 0.65 Allowed 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.957 0.785 . . . . 0.0 110.831 176.217 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.74 ' HB2' ' HG ' ' A' ' 10' ' ' LEU . 42.1 t30 -88.9 133.49 35.5 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 175.215 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.771 ' HB3' HD13 ' A' ' 58' ' ' ILE . 68.7 Cg_exo -42.94 -47.45 8.25 Favored 'Trans proline' 0 CA--C 1.534 0.486 0 C-N-CA 123.385 2.723 . . . . 0.0 113.558 175.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 54' ' ' ASN . 70.6 t 72.84 -34.62 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 175.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.538 ' O ' ' HB2' ' A' ' 61' ' ' LEU . 24.7 mmt -106.08 -27.58 11.03 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -176.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.771 HD13 ' HB3' ' A' ' 55' ' ' PRO . 3.2 mp -80.88 -61.77 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -168.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.75 -34.2 71.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.556 0.693 . . . . 0.0 110.427 -176.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -66.64 -30.86 71.23 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.369 179.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.538 ' HB2' ' O ' ' A' ' 57' ' ' MET . 36.6 tp -61.75 -53.07 60.93 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 121.452 0.644 . . . . 0.0 109.845 174.241 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.06 -37.27 76.63 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.844 -1.071 . . . . 0.0 111.086 -178.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -52.84 -31.38 38.84 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.636 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 10.0 pt-20 -123.25 26.89 7.78 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.896 -179.414 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.71 101.68 7.42 Favored Pre-proline 0 C--N 1.331 -0.197 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.313 172.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.636 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 9.8 Cg_endo -90.14 11.28 2.8 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.408 2.739 . . . . 0.0 110.932 177.172 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.454 HE22 ' HB ' ' A' ' 126' ' ' THR . 0.0 OUTLIER -75.85 -53.58 8.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.184 -179.346 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -173.45 177.78 2.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.195 -178.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -113.92 141.05 47.86 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 176.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.422 ' CD1' ' N ' ' A' ' 70' ' ' TRP . 0.1 OUTLIER -151.42 165.74 33.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.998 0.428 . . . . 0.0 111.771 -173.351 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -73.49 114.54 11.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.329 -174.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.9 t -89.21 116.52 30.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.999 175.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.506 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -127.58 159.39 34.78 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.174 -176.475 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.634 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 12.7 p -144.78 149.6 16.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.181 -178.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.71 157.14 16.91 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 176.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.25 -83.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.53 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.42 ' HA ' ' OG ' ' A' ' 42' ' ' SER . 55.6 tp -160.76 -49.24 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.182 0.515 . . . . 0.0 109.691 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -65.67 -47.37 75.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.503 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.629 HE22 ' HG2' ' A' ' 23' ' ' GLU . 36.2 mt-30 -69.19 -22.48 63.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.37 -173.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.3 t -50.07 -40.82 46.51 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.813 0.339 . . . . 0.0 110.855 176.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -69.9 -43.47 71.68 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.6 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.04 -42.39 84.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.604 -177.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.507 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 74.9 mt -66.04 -40.51 87.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 110.269 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.0 -44.09 97.9 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.475 -0.869 . . . . 0.0 111.772 177.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -68.31 -30.39 69.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 0.0 110.876 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.507 ' HB3' ' O ' ' A' ' 83' ' ' ILE . 2.8 tpm_? -45.98 -40.29 10.21 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.859 175.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -96.7 -78.69 0.46 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 175.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 177.06 21.49 0.0 OUTLIER 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.154 176.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 33.9 t -103.1 96.17 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -175.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -127.85 32.94 4.87 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.428 -174.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -113.05 -79.33 0.58 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.681 178.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.487 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 97.5 m-85 -124.22 138.18 30.39 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.101 -179.254 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.57 ' HB2' ' HA ' ' A' ' 43' ' ' SER . 7.8 Cg_exo -74.79 153.12 42.67 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 123.232 2.621 . . . . 0.0 112.406 -178.422 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -158.04 -172.19 3.81 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.063 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.538 ' HB ' ' HB3' ' A' ' 107' ' ' LEU . 7.2 m -97.6 117.17 31.28 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.146 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 93.3 mt -92.17 128.92 38.2 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.926 0.393 . . . . 0.0 110.842 -176.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.411 HG13 ' HZ3' ' A' ' 70' ' ' TRP . 67.2 t -94.18 114.66 31.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.813 -176.395 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.439 ' CE1' HD13 ' A' ' 39' ' ' ILE . 95.5 m-85 -112.44 126.62 55.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.32 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.519 ' OG1' ' HG3' ' A' ' 104' ' ' ARG . 0.7 OUTLIER -146.18 142.93 28.92 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.676 176.486 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 66.89 12.75 9.11 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.622 0.576 . . . . 0.0 110.966 -178.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.89 5.73 83.32 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.531 -177.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -121.09 152.37 38.75 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 122.472 -0.428 . . . . 0.0 111.075 178.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.408 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 56.0 tp -77.92 113.15 15.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.416 175.33 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.519 ' HG3' ' OG1' ' A' ' 99' ' ' THR . 16.8 mmt85 -96.98 -16.24 20.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.976 -173.508 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 163.77 -172.41 39.65 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 119.875 -1.155 . . . . 0.0 112.886 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -127.55 142.26 51.42 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.538 ' HB3' ' HB ' ' A' ' 95' ' ' THR . 1.8 tm? -89.64 96.43 10.69 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.725 -177.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 65.6 m -81.34 86.95 6.18 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 174.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -78.9 99.18 1.64 Allowed Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.811 -176.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.479 ' O ' ' HB2' ' A' ' 111' ' ' HIS . 46.8 mm -70.27 -74.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 175.119 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.557 ' HB3' ' HD3' ' A' ' 112' ' ' PRO . 1.6 t60 173.93 -53.01 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.339 0 O-C-N 123.665 0.603 . . . . 0.0 110.422 173.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.557 ' HD3' ' HB3' ' A' ' 111' ' ' HIS . 26.8 Cg_exo -64.15 146.67 90.92 Favored 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 122.19 1.927 . . . . 0.0 111.968 176.065 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.487 ' CH2' HD12 ' A' ' 61' ' ' LEU . 3.6 t-105 -95.64 -140.16 0.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.011 -177.418 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 69.37 -70.87 0.13 Allowed 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.52 0.728 . . . . 0.0 111.909 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -65.96 -26.38 67.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 -177.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 7.3 mt -56.37 -37.16 69.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.983 175.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -64.8 -44.83 88.66 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.3 m -62.46 -51.22 68.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.43 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.07 -49.88 70.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.711 -178.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.502 ' HA ' ' CE ' ' A' ' 120' ' ' MET . 20.8 mmt -64.82 -29.42 70.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.328 -178.508 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -55.43 -34.47 64.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.98 0.419 . . . . 0.0 111.276 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.0 m -71.4 -30.31 65.96 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.436 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 49.6 mm -91.07 -49.05 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.634 -175.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.2 m -112.03 68.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.804 0.811 . . . . 0.0 110.781 -177.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -74.26 -51.21 16.02 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.589 175.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.454 ' HB ' HE22 ' A' ' 67' ' ' GLN . 59.5 m 54.9 94.79 0.05 OUTLIER Pre-proline 0 C--O 1.235 0.319 0 CA-C-N 115.04 -0.982 . . . . 0.0 112.106 178.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -57.24 135.43 70.26 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.879 2.386 . . . . 0.0 111.949 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.5 18.84 0.14 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.96 -176.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -124.81 8.86 8.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.931 0.396 . . . . 0.0 110.623 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.531 ' OE1' ' HG2' ' A' ' 131' ' ' GLU . 5.4 tm0? -87.24 156.22 19.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.782 -179.264 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.531 ' HG2' ' OE1' ' A' ' 130' ' ' GLN . 16.5 mm-40 62.33 -173.16 0.15 Allowed 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.048 0.539 . . . . 0.0 111.528 -176.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 27.7 m -127.84 98.02 5.02 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.263 -176.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.495 HG12 ' N ' ' A' ' 134' ' ' GLN . 11.8 t 64.95 166.62 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.438 176.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.495 ' N ' HG12 ' A' ' 133' ' ' VAL . 52.9 tt0 . . . . . 0 N--CA 1.465 0.316 0 C-N-CA 123.268 0.627 . . . . 0.0 111.195 173.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.2 mtm . . . . . 0 N--CA 1.482 1.129 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.42 153.18 43.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.66 -0.245 . . . . 0.0 110.846 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -86.31 -62.7 1.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -67.0 107.39 2.24 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 173.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.8 m -121.12 89.74 46.62 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.075 -0.512 . . . . 0.0 112.116 -172.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -86.28 -24.0 1.74 Allowed 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.878 2.385 . . . . 0.0 110.964 170.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -128.83 138.27 51.96 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.414 ' OG ' ' HB2' ' A' ' 11' ' ' TRP . 13.4 t -81.23 92.5 6.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.23 0.538 . . . . 0.0 110.74 -176.263 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.55 -32.94 36.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.38 177.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 11' ' ' TRP . 4.1 pp -63.8 -28.19 69.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.386 -179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.436 ' N ' HD12 ' A' ' 10' ' ' LEU . 41.1 t-105 -64.51 -31.41 72.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.002 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -64.24 -35.77 81.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.371 177.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -67.66 -39.74 84.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.61 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.3 mt -66.38 -40.61 89.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.359 178.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -67.45 -26.61 66.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.606 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.2 m -63.95 -48.92 74.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.389 177.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -166.82 108.01 0.66 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.215 0.531 . . . . 0.0 110.691 176.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 156.8 -95.56 0.15 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.663 178.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.48 ' CE3' HG11 ' A' ' 74' ' ' VAL . 45.3 m0 -90.38 134.41 34.35 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.871 0.367 . . . . 0.0 111.854 -175.559 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -98.36 119.81 60.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.816 173.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.521 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 74.1 Cg_endo -76.32 108.69 2.72 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.412 2.075 . . . . 0.0 111.537 177.199 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.0 m -100.59 -176.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.4 0.619 . . . . 0.0 112.145 -175.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.627 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 44.9 mt-10 -143.42 174.12 11.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.872 -174.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.77 -28.67 19.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.931 0.396 . . . . 0.0 110.659 177.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 m -72.24 -2.78 20.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.364 -173.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.7 t -155.57 17.56 0.39 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.732 0.301 . . . . 0.0 111.348 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.627 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 7.1 p -68.35 -39.49 80.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.898 0.38 . . . . 0.0 111.025 -177.226 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -73.23 -27.76 61.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -77.92 -37.83 46.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.863 0.363 . . . . 0.0 110.072 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.416 ' O ' HG22 ' A' ' 34' ' ' VAL . 49.0 t90 -65.71 -49.48 68.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.449 179.241 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.432 HD11 HD11 ' A' ' 39' ' ' ILE . 27.3 mm -59.9 -37.25 71.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.978 0.418 . . . . 0.0 110.525 177.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.441 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 1.2 tmmt? -61.39 -34.03 74.66 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.896 177.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 33' ' ' ARG . 26.5 ttt180 -81.05 -46.62 14.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.006 0.431 . . . . 0.0 111.578 -178.132 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 30' ' ' TRP . 35.3 m -81.43 -33.31 12.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.25 -175.083 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.19 -53.57 4.64 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 111.932 -0.467 . . . . 0.0 111.932 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -122.73 127.57 49.38 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.715 0.293 . . . . 0.0 110.64 -176.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.8 176.82 44.34 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.118 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' ' 97' ' ' VAL . 15.8 m -134.32 142.33 41.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.714 0.257 . . . . 0.0 111.084 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.47 HG22 HD12 ' A' ' 41' ' ' LEU . 2.4 mp -111.83 119.85 60.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 175.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.581 HD11 ' HB2' ' A' ' 55' ' ' PRO . 4.5 tt -95.2 119.92 34.53 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 177.055 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.47 HD12 HG22 ' A' ' 39' ' ' ILE . 8.2 mp -93.43 139.54 30.58 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.518 0.192 . . . . 0.0 111.518 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.9 m 80.03 142.99 0.08 Allowed 'General case' 0 N--CA 1.469 0.495 0 O-C-N 124.089 0.868 . . . . 0.0 112.15 173.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.1 m -142.36 107.94 5.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.554 178.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.9 t70 58.27 89.78 0.1 Allowed Pre-proline 0 N--CA 1.471 0.618 0 C-N-CA 123.365 0.666 . . . . 0.0 111.966 178.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -89.96 159.89 4.95 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 122.673 2.248 . . . . 0.0 112.717 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.4 ' HB3' ' HE ' ' A' ' 46' ' ' ARG . 13.9 mtp180 -85.01 -53.9 4.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.909 175.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -93.6 132.08 38.26 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.131 -173.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.5 m -141.44 125.47 10.19 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.661 175.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.52 56.24 2.74 Favored 'Trans proline' 0 CA--C 1.533 0.44 0 C-N-CA 122.947 2.431 . . . . 0.0 112.736 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.654 ' HG2' HG23 ' A' ' 51' ' ' VAL . 44.8 tt0 70.44 149.26 0.08 Allowed 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.424 0.69 . . . . 0.0 111.086 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.654 HG23 ' HG2' ' A' ' 50' ' ' GLU . 54.1 t 66.18 88.01 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.468 0.651 . . . . 0.0 109.988 -178.555 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.8 p -109.47 156.82 19.62 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.817 -177.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -156.21 -164.88 1.78 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 178.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -149.39 139.3 13.22 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 121.283 0.563 . . . . 0.0 111.119 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.581 ' HB2' HD11 ' A' ' 40' ' ' LEU . 97.3 Cg_endo -77.37 44.74 1.57 Allowed 'Trans proline' 0 CA--C 1.532 0.406 0 C-N-CA 123.476 2.784 . . . . 0.0 114.117 -170.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.4 t -76.1 -13.86 14.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.198 0.523 . . . . 0.0 110.022 176.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.6 mmt -55.79 -34.16 65.05 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.563 -178.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.9 mp -64.87 -35.16 74.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.73 0.3 . . . . 0.0 111.112 -177.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.69 98.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.007 0.432 . . . . 0.0 111.054 -178.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -75.49 -41.44 55.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.358 0.599 . . . . 0.0 109.963 178.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.564 HD11 HD21 ' A' ' 116' ' ' LEU . 1.3 tt -63.51 -46.96 83.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.368 -175.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.553 ' HG ' ' HB ' ' A' ' 72' ' ' VAL . 0.3 OUTLIER -63.45 -33.88 76.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.033 -172.277 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 63' ' ' ARG . 23.7 mtp180 -79.08 -8.08 58.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.557 -177.509 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -97.98 -87.53 0.33 Allowed 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.038 178.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 24.72 87.57 0.08 OUTLIER Pre-proline 0 N--CA 1.467 0.422 0 O-C-N 124.781 1.301 . . . . 0.0 113.425 -174.379 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.21 -11.97 33.62 Favored 'Trans proline' 0 CA--C 1.529 0.244 0 C-N-CA 122.631 2.221 . . . . 0.0 112.441 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -73.57 -59.04 2.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.995 -178.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -161.7 -178.5 6.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.432 -176.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -112.55 140.06 47.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.557 179.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -152.76 171.59 18.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.911 -177.468 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -86.05 146.51 26.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.972 0.415 . . . . 0.0 111.328 -177.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.553 ' HB ' ' HG ' ' A' ' 62' ' ' LEU . 5.4 p -114.04 129.58 69.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.31 178.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -133.08 141.67 48.32 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.141 0.496 . . . . 0.0 111.217 -177.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.521 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 16.5 m -131.67 158.52 43.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.265 179.55 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -140.44 144.37 36.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.028 0.442 . . . . 0.0 111.463 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -67.49 163.31 21.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.002 179.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.2 tt -60.25 -36.83 78.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.25 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.26 -38.58 89.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.271 0.557 . . . . 0.0 110.417 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.423 ' O ' HG13 ' A' ' 83' ' ' ILE . 85.9 mm-40 -76.29 -31.08 58.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.111 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.1 t -52.54 -46.03 66.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.174 -174.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -57.78 -46.7 84.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 -177.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.14 -36.16 77.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.164 -178.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 79' ' ' GLN . 65.7 mt -65.66 -39.68 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.007 0.432 . . . . 0.0 110.439 179.68 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.443 ' HA2' ' HB ' ' A' ' 89' ' ' VAL . . . -61.69 -28.01 69.21 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.233 176.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -77.86 -37.02 49.22 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.203 0.525 . . . . 0.0 110.244 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.406 ' HG2' ' CG1' ' A' ' 27' ' ' VAL . 25.8 tpt180 -52.12 -48.4 64.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.723 -1.126 . . . . 0.0 112.217 -173.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -131.96 21.46 4.54 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.776 -177.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 58.8 t30 71.56 80.72 0.15 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.937 170.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.443 ' HB ' ' HA2' ' A' ' 84' ' ' GLY . 65.8 t -112.11 102.43 13.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.914 174.119 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.71 -179.82 3.86 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 175.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.5 ' O ' ' HB2' ' A' ' 92' ' ' PHE . 10.3 tpt180 64.99 31.08 11.51 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 123.506 0.504 . . . . 0.0 110.587 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.5 ' HB2' ' O ' ' A' ' 91' ' ' ARG . 79.4 m-85 77.73 149.6 0.12 Allowed Pre-proline 0 N--CA 1.47 0.557 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.704 179.448 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -70.26 165.93 29.9 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.194 2.596 . . . . 0.0 113.408 -176.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -163.3 -161.6 0.68 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.454 -177.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.9 m -109.87 115.61 30.13 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 176.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.523 ' HA ' ' HA ' ' A' ' 106' ' ' ALA . 6.3 mp -94.07 143.18 26.59 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.989 0.423 . . . . 0.0 111.196 -175.312 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.509 ' HA ' HG12 ' A' ' 38' ' ' VAL . 58.6 t -101.64 115.4 43.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.75 -175.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.486 ' CZ ' HD13 ' A' ' 103' ' ' LEU . 49.7 m-85 -113.31 112.53 23.85 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.965 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 70.0 p -133.12 153.6 51.37 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 67.43 16.95 10.08 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 123.29 0.369 . . . . 0.0 110.644 178.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 76.68 7.56 85.89 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.963 -176.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -125.86 156.68 39.23 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 121.021 0.439 . . . . 0.0 111.032 -177.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.486 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 51.3 tp -80.31 110.97 16.25 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -88.13 -29.6 20.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.059 -177.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 166.24 -158.4 31.31 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.189 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.523 ' HA ' ' HA ' ' A' ' 96' ' ' LEU . . . -138.48 158.44 44.27 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 107' ' ' LEU . 0.2 OUTLIER -102.09 91.21 4.23 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -179.012 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.3 m -120.89 93.45 4.03 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.936 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.645 ' HA3' ' HG3' ' A' ' 115' ' ' GLU . . . -132.09 162.46 23.92 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.013 -178.506 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 17.7 tt -117.92 -11.02 11.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.307 0.575 . . . . 0.0 110.764 -177.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.512 ' O ' ' HG2' ' A' ' 115' ' ' GLU . 72.8 m-70 -99.99 131.3 24.58 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.46 177.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.27 107.38 0.36 Allowed 'Trans proline' 0 CA--C 1.529 0.241 0 C-N-CA 122.783 2.322 . . . . 0.0 112.585 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 74.0 -38.78 0.41 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.896 0.878 . . . . 0.0 112.529 175.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.58 -30.95 44.72 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -175.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.645 ' HG3' ' HA3' ' A' ' 109' ' ' GLY . 4.4 mm-40 -62.77 -30.64 71.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 110.985 -178.523 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.564 HD21 HD11 ' A' ' 61' ' ' LEU . 64.5 mt -63.62 -32.76 74.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.272 -178.238 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.461 ' O ' ' HB2' ' A' ' 121' ' ' ARG . 0.2 OUTLIER -59.84 -38.36 81.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.72 -177.275 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.6 m -88.35 -51.14 5.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.443 178.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.413 ' O ' HG13 ' A' ' 123' ' ' ILE . 93.9 mt -64.78 -50.09 68.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.911 -173.079 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 55.6 ttp -65.83 -33.8 76.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.923 0.392 . . . . 0.0 110.3 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 73.7 ttt180 -58.65 -41.34 85.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.301 178.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 24.8 t -75.48 -42.96 51.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.023 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 119' ' ' LEU . 84.9 mt -62.07 -49.35 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.302 -177.653 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 11.8 m -121.31 70.67 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.931 0.872 . . . . 0.0 110.591 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -73.04 -54.96 7.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.61 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.3 t -150.39 143.97 17.0 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.646 -176.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -66.87 -18.0 52.24 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.876 2.384 . . . . 0.0 112.285 177.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -103.99 27.86 7.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.577 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.43 157.71 37.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.653 -178.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -78.31 125.24 29.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.945 175.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -62.23 144.63 55.28 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 4.1 m -129.17 163.22 26.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.199 -175.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.435 ' O ' HG12 ' A' ' 133' ' ' VAL . 14.0 t 70.02 27.99 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-O 122.139 0.971 . . . . 0.0 109.724 -179.391 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 19.1 pm0 . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.783 176.493 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ttt . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -133.89 93.82 3.17 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 177.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -97.07 122.27 39.88 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.392 -174.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -123.91 127.0 47.35 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.392 -178.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.8 m -153.4 80.36 5.25 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.053 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -95.4 102.86 0.11 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 123.156 2.571 . . . . 0.0 112.451 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -84.95 -69.19 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.8 m -82.09 -29.18 31.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.185 0.517 . . . . 0.0 109.975 178.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.56 -28.6 69.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.125 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.523 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 47.3 tp -60.46 -43.38 96.94 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.423 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.55 ' CZ3' ' HG3' ' A' ' 21' ' ' PRO . 0.7 OUTLIER -58.55 -41.84 86.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.215 177.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -64.81 -38.23 90.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.816 0.341 . . . . 0.0 110.329 -178.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -73.12 -28.17 62.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.23 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 58.1 mt -68.82 -53.47 21.32 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.532 177.033 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.7 mp -53.58 -24.69 14.54 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -177.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.9 m -53.37 -39.55 64.3 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 178.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -157.13 -34.5 0.08 Allowed 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 -174.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 19' ' ' TRP . . . -136.29 149.14 20.01 Favored Glycine 0 C--O 1.225 -0.442 0 C-N-CA 119.912 -1.137 . . . . 0.0 113.365 -172.228 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.423 ' HB2' ' O ' ' A' ' 18' ' ' GLY . 60.8 m95 74.18 109.81 0.07 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.819 0.819 . . . . 0.0 110.86 -176.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.413 ' OE1' ' HD2' ' A' ' 21' ' ' PRO . 7.2 tp-100 -114.09 117.06 44.18 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.898 -176.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.685 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 37.0 Cg_exo -55.25 121.71 10.4 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.268 1.978 . . . . 0.0 111.519 175.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.607 HG21 HG23 ' A' ' 39' ' ' ILE . 1.2 m -84.93 175.52 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.237 0.542 . . . . 0.0 111.37 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.587 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 40.7 mt-10 -136.66 176.14 8.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.675 -174.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.72 -29.94 15.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.117 0.484 . . . . 0.0 110.85 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 m -83.23 -44.51 14.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.197 -177.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.407 ' OG1' ' HB2' ' A' ' 23' ' ' GLU . 20.8 p -91.71 -4.25 55.31 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -172.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.587 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 10.8 p -60.4 -37.71 75.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 120.705 0.288 . . . . 0.0 111.217 -176.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -62.55 -45.88 90.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.227 0.537 . . . . 0.0 110.314 -178.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 22.9 t70 -74.57 -31.22 62.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.628 -178.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 71.2 t90 -62.12 -48.46 80.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.807 175.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.48 ' HA ' HG22 ' A' ' 34' ' ' VAL . 79.8 mt -61.06 -38.42 79.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.146 176.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 32' ' ' LYS . 2.6 tmmm? -55.66 -43.35 76.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.085 175.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -77.39 -45.75 24.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.842 -174.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.48 HG22 ' HA ' ' A' ' 31' ' ' ILE . 25.6 m -77.36 -43.9 30.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.815 -174.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.92 -48.53 2.37 Favored Glycine 0 C--O 1.234 0.126 0 N-CA-C 111.965 -0.454 . . . . 0.0 111.965 -177.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.451 ' HA ' ' O ' ' A' ' 98' ' ' PHE . 9.3 m-20 -127.0 110.05 12.55 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.058 -0.571 . . . . 0.0 109.463 -179.086 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.54 176.98 44.61 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.637 -177.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.531 HG12 ' HA ' ' A' ' 97' ' ' VAL . 15.7 m -133.97 133.34 56.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.025 0.44 . . . . 0.0 111.708 -178.199 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.607 HG23 HG21 ' A' ' 22' ' ' VAL . 2.7 mp -101.03 115.37 42.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 174.322 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.422 HD22 HG23 ' A' ' 74' ' ' VAL . 5.3 tt -92.83 120.11 32.85 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 177.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.418 HD12 HG22 ' A' ' 39' ' ' ILE . 10.5 mp -85.76 131.68 34.27 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.514 -178.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 61.0 p 58.25 114.97 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.625 1.17 . . . . 0.0 113.597 176.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.1 m -71.19 -43.83 66.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.867 175.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.471 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 54.1 t0 -135.5 117.62 12.29 Favored Pre-proline 0 C--N 1.329 -0.285 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 173.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.766 ' HG3' ' HG3' ' A' ' 93' ' ' PRO . 3.0 Cg_exo -75.55 -19.07 17.09 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 122.915 2.41 . . . . 0.0 113.199 -178.598 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -147.76 -75.64 0.18 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.624 0.25 . . . . 0.0 111.468 -175.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -177.05 108.02 0.07 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.393 -174.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.479 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 7.9 t -90.66 118.87 68.99 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-O 121.246 0.546 . . . . 0.0 110.683 173.444 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 48' ' ' THR . 2.3 Cg_endo -85.81 114.71 1.43 Allowed 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 123.037 2.491 . . . . 0.0 111.926 177.186 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.447 ' O ' ' HB ' ' A' ' 51' ' ' VAL . 1.6 mp0 64.62 -160.18 0.29 Allowed 'General case' 0 C--O 1.234 0.276 0 O-C-N 123.577 0.548 . . . . 0.0 110.942 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.447 ' HB ' ' O ' ' A' ' 50' ' ' GLU . 85.7 t 78.06 134.11 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 O-C-N 123.712 0.633 . . . . 0.0 111.297 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.1 m -84.33 129.37 34.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.678 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.58 ' OD1' ' HD2' ' A' ' 55' ' ' PRO . 2.1 t70 73.16 166.14 0.3 Allowed 'General case' 0 N--CA 1.472 0.625 0 O-C-N 124.034 0.834 . . . . 0.0 110.651 177.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.618 ' H ' ' HD2' ' A' ' 55' ' ' PRO . 93.0 m-20 -129.7 -56.92 0.03 OUTLIER Pre-proline 0 CA--C 1.534 0.336 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -175.199 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.618 ' HD2' ' H ' ' A' ' 54' ' ' ASN . 79.8 Cg_endo -78.85 44.63 1.71 Allowed 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 121.957 1.771 . . . . 0.0 113.276 -177.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.429 ' O ' ' HB3' ' A' ' 57' ' ' MET . 26.7 m -73.77 169.12 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.345 177.001 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.429 ' HB3' ' O ' ' A' ' 56' ' ' VAL . 38.9 ttp 75.76 -47.22 0.58 Allowed 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.156 0.582 . . . . 0.0 110.554 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.444 ' H ' HD12 ' A' ' 58' ' ' ILE . 5.2 mp -68.68 -31.63 51.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 171.379 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.23 -48.48 79.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.168 178.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.505 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 2.1 mp0 -60.02 -42.13 93.66 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.675 177.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -54.34 -45.25 72.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.575 0.702 . . . . 0.0 109.784 176.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -70.33 -4.63 23.11 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.879 -1.055 . . . . 0.0 112.393 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.587 ' NE ' ' HA ' ' A' ' 63' ' ' ARG . 4.0 mmp_? -109.82 -47.43 3.35 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 13.1 pt-20 -95.56 24.3 5.35 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -173.471 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.479 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 2.0 t80 -90.65 107.59 21.39 Favored Pre-proline 0 C--N 1.329 -0.295 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 176.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 65' ' ' PHE . 5.8 Cg_exo -78.64 15.85 1.37 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.445 2.763 . . . . 0.0 113.372 -173.336 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -126.22 -46.03 1.66 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -176.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.563 ' HZ ' HG11 ' A' ' 124' ' ' VAL . 68.4 m-85 -113.84 111.65 22.08 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -169.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -88.6 58.05 4.48 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 163.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -89.78 -175.23 4.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.822 -1.081 . . . . 0.0 112.155 -171.19 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -112.49 120.58 42.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.83 -172.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.3 p -102.4 139.89 22.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.872 -177.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.526 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -143.37 151.95 41.03 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.49 177.223 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.685 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 4.3 p -135.85 143.09 37.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.956 0.407 . . . . 0.0 110.692 -177.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.54 ' HB1' ' HB2' ' A' ' 79' ' ' GLN . . . -96.19 149.5 21.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.558 177.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -68.07 -81.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.788 -177.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -155.04 -45.89 0.08 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 121.108 -0.237 . . . . 0.0 110.999 174.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.68 -43.79 97.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.607 0.718 . . . . 0.0 110.106 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.54 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . 17.9 mp0 -68.93 -30.35 68.79 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.496 -178.002 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.6 t -53.84 -55.31 27.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.986 -175.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -65.43 -37.41 86.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.762 0.315 . . . . 0.0 110.995 -175.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.29 -40.19 89.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.985 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.545 HG21 HG21 ' A' ' 39' ' ' ILE . 87.3 mt -70.7 -42.82 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.263 176.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -59.62 -40.41 96.38 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 111.715 177.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -56.95 -32.06 65.64 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 123.075 0.55 . . . . 0.0 111.743 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -34.0 56.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.923 -179.141 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.14 10.49 10.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.983 0.421 . . . . 0.0 110.612 177.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 64.6 t30 66.96 30.35 7.64 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.481 175.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.4 t -94.14 121.7 44.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.622 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.421 ' O ' ' HG3' ' A' ' 91' ' ' ARG . 20.0 ttm180 -147.47 94.28 2.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.722 179.526 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 90' ' ' ARG . 10.8 mtm180 172.09 111.77 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.192 0.997 . . . . 0.0 109.532 171.599 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 67.83 164.8 0.13 Allowed Pre-proline 0 N--CA 1.468 0.452 0 O-C-N 123.964 0.79 . . . . 0.0 111.497 177.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.766 ' HG3' ' HG3' ' A' ' 45' ' ' PRO . 16.9 Cg_exo -67.12 133.38 30.64 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.236 1.957 . . . . 0.0 111.072 173.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.949 ' HA ' ' HA ' ' A' ' 108' ' ' SER . . . -134.08 141.97 47.37 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.618 0.246 . . . . 0.0 110.933 -177.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.475 HG22 ' HB ' ' A' ' 38' ' ' VAL . 7.0 m -118.17 116.15 26.23 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 175.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.603 ' HG ' ' HB2' ' A' ' 106' ' ' ALA . 6.3 mp -92.54 139.91 30.09 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.066 0.46 . . . . 0.0 111.244 -176.048 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.531 ' HA ' HG12 ' A' ' 38' ' ' VAL . 45.3 t -97.07 106.15 18.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.914 -176.111 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.458 ' CE2' HD13 ' A' ' 103' ' ' LEU . 41.2 m-85 -101.72 110.84 22.9 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.169 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.8 p -138.0 149.57 46.21 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.616 -0.266 . . . . 0.0 110.364 -177.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.2 t70 70.8 11.16 7.14 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.506 0.67 . . . . 0.0 110.064 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.33 -2.37 85.01 Favored Glycine 0 N--CA 1.444 -0.83 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.53 -175.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.9 pttm -128.76 165.29 21.22 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 121.43 0.633 . . . . 0.0 112.375 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.458 HD13 ' CE2' ' A' ' 98' ' ' PHE . 56.2 tp -89.13 121.96 31.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.274 -178.286 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 54.8 mtt180 -105.4 -14.93 15.17 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 153.25 -163.75 30.72 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.039 -1.077 . . . . 0.0 112.766 177.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.603 ' HB2' ' HG ' ' A' ' 96' ' ' LEU . . . -132.48 153.88 50.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.754 0.312 . . . . 0.0 110.676 -178.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.06 -10.24 15.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.204 -178.249 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.949 ' HA ' ' HA ' ' A' ' 94' ' ' ALA . 24.2 m 60.75 -163.55 0.25 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.143 -172.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.496 ' O ' HG22 ' A' ' 110' ' ' ILE . . . -84.13 -21.07 57.93 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.511 173.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.763 HG12 ' H ' ' A' ' 111' ' ' HIS . 5.8 tt 55.06 -174.03 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 C-N-CA 124.225 1.01 . . . . 0.0 112.138 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.763 ' H ' HG12 ' A' ' 110' ' ' ILE . 15.2 t-160 -165.43 -51.34 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.41 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.716 ' HD3' ' HB3' ' A' ' 111' ' ' HIS . 5.1 Cg_exo -80.3 168.39 18.48 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 122.21 1.94 . . . . 0.0 111.4 174.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -137.26 83.15 1.97 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.19 0.519 . . . . 0.0 110.225 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -148.41 -41.91 0.16 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.207 175.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.602 ' CD ' ' H ' ' A' ' 115' ' ' GLU . 0.8 OUTLIER -76.56 -23.25 53.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.815 -177.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.3 mt -53.99 -32.56 54.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.56 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.4 ' HA ' HD22 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -64.1 -46.1 85.71 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.763 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.8 m -71.76 -40.77 69.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.736 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 93.3 mt -59.38 -44.2 92.81 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.25 178.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -58.14 -44.18 87.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.354 177.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.419 ' HA ' ' HD2' ' A' ' 121' ' ' ARG . 7.0 tpt180 -68.52 -29.66 68.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -178.343 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.8 t -75.66 -39.09 58.18 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.039 0.447 . . . . 0.0 110.536 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.433 HG22 HG13 ' A' ' 124' ' ' VAL . 79.9 mt -74.7 -48.67 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.027 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.563 HG11 ' HZ ' ' A' ' 68' ' ' PHE . 6.0 m -130.97 76.4 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.799 0.809 . . . . 0.0 111.428 -178.626 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -66.3 -40.07 89.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.568 174.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.6 p -76.32 130.58 77.02 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.992 174.195 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -61.44 99.17 0.16 Allowed 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.831 2.354 . . . . 0.0 112.112 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.54 112.54 24.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.247 179.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . 69.45 168.26 0.29 Allowed 'General case' 0 N--CA 1.465 0.291 0 O-C-N 124.205 0.94 . . . . 0.0 111.317 -177.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -128.68 98.75 5.1 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -179.295 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -108.74 120.87 43.76 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.228 0.537 . . . . 0.0 111.155 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 23.1 m -95.3 89.1 5.36 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.523 176.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 6.0 m -80.05 86.39 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.597 0.713 . . . . 0.0 111.507 -176.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.435 178.156 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.7 mtm . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 120.914 0.388 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.35 159.36 21.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.081 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -87.45 91.65 8.8 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.712 -176.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -60.46 124.36 20.12 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.164 0.507 . . . . 0.0 110.116 176.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.3 m -132.56 105.0 13.11 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.014 -171.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.62 146.96 35.03 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.703 2.269 . . . . 0.0 110.654 170.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -60.54 -47.4 86.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.745 0.307 . . . . 0.0 111.376 -176.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.0 m -65.76 -37.65 86.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.049 -178.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.08 -41.33 74.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.906 0.384 . . . . 0.0 110.555 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.482 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 67.2 tp -59.07 -43.91 91.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.19 177.039 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.523 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 76.6 t-105 -56.29 -51.43 68.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.939 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -65.19 -33.95 77.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.969 0.414 . . . . 0.0 110.778 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -68.86 -36.79 78.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.051 178.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 95.6 mt -68.71 -31.34 70.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.452 176.199 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 11' ' ' TRP . 82.3 mt -66.18 -26.05 67.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.082 0.468 . . . . 0.0 110.369 175.463 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 m -73.49 -29.54 62.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.247 0.546 . . . . 0.0 109.84 175.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -71.35 -25.01 62.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.801 176.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.4 -135.1 6.84 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.206 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.502 ' CE3' HG11 ' A' ' 74' ' ' VAL . 45.6 m0 69.68 176.63 0.27 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.758 0.789 . . . . 0.0 112.641 173.485 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -145.33 114.06 4.83 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 114.847 -1.069 . . . . 0.0 109.462 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -71.27 106.84 2.0 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.091 1.861 . . . . 0.0 111.93 178.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.463 HG21 HG13 ' A' ' 39' ' ' ILE . 16.8 m -99.9 178.49 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.533 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 46.4 mt-10 -141.89 173.29 11.64 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.148 -173.278 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.518 ' HB2' HG13 ' A' ' 83' ' ' ILE . . . -97.81 -26.44 14.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.213 -177.179 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.9 m -71.2 -22.51 62.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.251 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.4 t -135.38 20.95 3.39 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.814 0.34 . . . . 0.0 110.95 -175.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.533 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 7.6 p -60.33 -47.5 92.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.194 -176.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.1 -41.69 90.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.592 -177.295 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -66.65 -36.91 83.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.682 0.277 . . . . 0.0 110.872 -178.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -65.11 -45.82 83.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.894 0.378 . . . . 0.0 110.307 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.44 HD13 ' CD2' ' A' ' 98' ' ' PHE . 70.5 mt -61.79 -32.3 53.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.203 178.14 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.419 ' HE2' ' HB3' ' A' ' 32' ' ' LYS . 2.9 tmmm? -63.29 -36.23 82.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.351 175.507 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.33 -45.28 22.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.106 -174.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.441 ' HB ' ' NE2' ' A' ' 71' ' ' GLN . 26.9 m -87.17 -40.96 14.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -175.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.62 -62.38 0.71 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.414 -0.422 . . . . 0.0 112.059 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.473 ' OD1' ' HA ' ' A' ' 99' ' ' THR . 15.5 m-20 -117.94 150.27 39.51 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -176.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.85 -172.76 39.8 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.388 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.421 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 16.8 m -139.0 143.76 30.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.457 0.17 . . . . 0.0 110.627 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.463 HG13 HG21 ' A' ' 22' ' ' VAL . 2.1 mp -120.34 133.78 65.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 176.351 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.521 HD11 HG13 ' A' ' 58' ' ' ILE . 34.0 mt -83.6 140.61 32.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.743 176.109 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.6 mp -117.82 121.45 40.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.362 175.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.8 m 70.07 139.76 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.976 0.894 . . . . 0.0 113.176 174.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.0 p -113.19 29.45 7.98 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.59 175.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.503 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 12.9 m-20 -83.48 130.46 56.14 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.858 -177.251 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.503 ' HD3' ' HA ' ' A' ' 44' ' ' ASP . 3.8 Cg_exo -74.96 149.8 37.42 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 123.003 2.469 . . . . 0.0 113.085 -177.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -112.56 19.12 17.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.236 176.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 71.55 116.6 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 114.753 -1.112 . . . . 0.0 110.979 -176.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -157.43 119.97 2.12 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.493 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -90.89 -13.01 2.21 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 122.984 2.456 . . . . 0.0 112.739 175.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -171.17 -37.69 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -175.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.6 m -62.65 -15.53 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -174.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.512 ' O ' ' HB3' ' A' ' 53' ' ' ASP . 49.0 m -153.77 -153.93 0.49 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.086 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.512 ' HB3' ' O ' ' A' ' 52' ' ' SER . 16.6 t0 79.93 159.63 0.17 Allowed 'General case' 0 N--CA 1.47 0.549 0 O-C-N 124.076 0.86 . . . . 0.0 110.419 -179.133 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 65.25 90.6 0.09 OUTLIER Pre-proline 0 N--CA 1.466 0.36 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.178 -171.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.42 ' HB2' ' HH2' ' A' ' 19' ' ' TRP . 15.1 Cg_exo -68.09 95.17 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.75 2.3 . . . . 0.0 112.464 -177.391 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.4 m -133.75 -30.48 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.033 176.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -47.62 -34.99 8.6 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.455 -176.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.521 HG13 HD11 ' A' ' 40' ' ' LEU . 44.8 mm -60.75 -33.77 56.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-O 120.893 0.377 . . . . 0.0 110.901 -177.372 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.461 ' HB2' ' HE1' ' A' ' 19' ' ' TRP . . . -78.1 -44.98 24.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.95 0.405 . . . . 0.0 111.044 179.183 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.55 -29.01 68.99 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.479 -178.1 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -41.0 63.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.152 0.501 . . . . 0.0 109.793 174.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.5 tp -66.97 -34.09 77.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 86.2 mtt-85 -64.04 -35.26 80.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -106.26 22.86 15.05 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.032 -174.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -112.2 90.25 13.57 Favored Pre-proline 0 C--N 1.331 -0.234 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.355 175.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -87.42 10.06 3.66 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.78 2.32 . . . . 0.0 112.393 -178.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -72.57 -39.59 67.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.371 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -177.16 -172.97 0.42 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.665 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -117.33 127.25 53.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.905 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -135.37 173.27 11.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.864 175.136 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.441 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -94.24 123.72 37.8 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.008 0.433 . . . . 0.0 110.657 -178.75 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.421 HG23 HG22 ' A' ' 58' ' ' ILE . 3.0 p -80.68 113.61 20.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.244 176.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -123.94 151.94 43.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.986 0.422 . . . . 0.0 111.072 -176.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.502 HG11 ' CE3' ' A' ' 19' ' ' TRP . 32.4 m -141.63 158.66 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.833 -175.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -114.98 157.17 23.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.032 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.409 ' OD1' HD22 ' A' ' 77' ' ' LEU . 6.3 t70 -82.65 -79.44 0.19 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.783 0.325 . . . . 0.0 110.859 -174.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.455 HD23 ' H ' ' A' ' 78' ' ' GLU . 2.2 pt? -157.72 -40.33 0.07 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.735 0.303 . . . . 0.0 111.146 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.455 ' H ' HD23 ' A' ' 77' ' ' LEU . 32.7 tt0 -77.46 -32.23 54.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.11 0.481 . . . . 0.0 110.825 -176.286 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.455 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 24.9 mp0 -62.66 -29.28 70.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.044 -178.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.7 m -50.46 -49.82 54.16 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 122.736 0.415 . . . . 0.0 111.803 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -62.36 -49.42 75.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.198 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.31 -35.1 71.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.731 -173.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.518 HG13 ' HB2' ' A' ' 24' ' ' ALA . 75.5 mt -68.31 -47.61 77.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.99 0.424 . . . . 0.0 110.114 176.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -65.24 -29.27 74.88 Favored Glycine 0 C--O 1.223 -0.579 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.155 178.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -75.33 -32.53 60.93 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.242 0.544 . . . . 0.0 110.791 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -51.24 -43.57 61.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.886 -178.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.478 ' HD1' HG23 ' A' ' 89' ' ' VAL . 0.9 OUTLIER -132.9 16.54 4.23 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -177.577 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 42.6 t30 63.73 80.61 0.23 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.436 0.636 . . . . 0.0 112.148 174.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.478 HG23 ' HD1' ' A' ' 87' ' ' PHE . 97.9 t -134.38 146.79 30.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.549 175.233 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.65 ' HB3' ' HD2' ' A' ' 92' ' ' PHE . 21.4 mmt180 -58.56 139.92 55.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.909 0.385 . . . . 0.0 111.738 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 74.1 mtm180 -84.07 75.74 10.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.085 0.469 . . . . 0.0 110.396 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.65 ' HD2' ' HB3' ' A' ' 90' ' ' ARG . 76.6 m-85 -135.54 152.4 76.28 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.247 177.085 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -56.1 100.71 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.807 2.338 . . . . 0.0 112.333 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -149.7 177.18 10.01 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.34 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.83 ' HB ' HD23 ' A' ' 107' ' ' LEU . 7.4 m -134.52 130.87 37.28 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.52 HD23 ' HB2' ' A' ' 106' ' ' ALA . 94.6 mt -92.46 142.2 27.68 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.69 0.281 . . . . 0.0 110.467 178.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.623 HG11 HG21 ' A' ' 123' ' ' ILE . 25.1 t -99.59 115.68 41.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.392 -178.265 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.473 ' CZ ' HD13 ' A' ' 103' ' ' LEU . 93.0 m-85 -112.38 116.94 31.14 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.086 0.47 . . . . 0.0 109.761 177.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.473 ' HA ' ' OD1' ' A' ' 36' ' ' ASP . 1.1 p -145.16 151.47 38.49 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.881 -178.353 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.673 ' HB2' HH12 ' A' ' 104' ' ' ARG . 3.7 t70 73.32 11.22 4.98 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.567 0.699 . . . . 0.0 109.624 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.14 -4.71 84.61 Favored Glycine 0 N--CA 1.442 -0.913 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.309 -175.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -127.56 175.1 8.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.252 0.548 . . . . 0.0 111.672 -176.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.473 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 59.5 tp -80.14 126.61 31.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.071 177.076 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.749 ' HG2' HG23 ' A' ' 123' ' ' ILE . 0.5 OUTLIER -98.45 -34.05 10.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.136 0.493 . . . . 0.0 110.154 -179.17 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 159.04 -137.88 5.39 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.39 -178.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.52 ' HB2' HD23 ' A' ' 96' ' ' LEU . . . -147.54 165.35 30.61 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.213 -0.292 . . . . 0.0 110.213 -179.017 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.83 HD23 ' HB ' ' A' ' 95' ' ' THR . 3.4 mm? -82.25 76.92 9.1 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 176.468 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.2 p -85.48 71.71 10.74 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.412 0.625 . . . . 0.0 110.954 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -110.4 -166.25 19.34 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.715 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 48.2 mm -105.08 -60.75 2.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.823 0.311 . . . . 0.0 111.453 -178.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.507 ' HB3' ' HD3' ' A' ' 112' ' ' PRO . 3.5 t60 -168.15 -53.54 0.0 OUTLIER Pre-proline 0 CA--C 1.539 0.523 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -174.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.507 ' HD3' ' HB3' ' A' ' 111' ' ' HIS . 98.4 Cg_endo -84.2 -162.0 0.15 Allowed 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 121.932 1.755 . . . . 0.0 113.324 -174.649 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -110.86 77.94 1.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.521 178.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -140.38 -47.43 0.43 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.288 0.566 . . . . 0.0 110.352 177.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.469 ' O ' HD23 ' A' ' 119' ' ' LEU . 1.8 pm0 -68.05 -27.72 66.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.234 -0.893 . . . . 0.0 110.243 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 43.1 mt -54.99 -37.66 66.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.726 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.34 -44.57 94.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.007 0.432 . . . . 0.0 110.764 -178.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.4 m -70.62 -43.52 69.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.981 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' ' 115' ' ' GLU . 2.9 mm? -62.26 -50.91 69.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.732 -179.404 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.589 ' O ' HG22 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -65.6 -30.42 71.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.059 -176.068 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -58.13 -40.83 82.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.9 0.381 . . . . 0.0 111.065 -177.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 34.9 t -76.46 -34.36 58.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.64 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.749 HG23 ' HG2' ' A' ' 104' ' ' ARG . 83.2 mt -73.0 -49.82 36.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.553 -176.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 120' ' ' MET . 35.0 m -100.36 67.96 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 122.391 1.091 . . . . 0.0 109.23 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -39.38 -47.93 1.84 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 113.176 -1.829 . . . . 0.0 113.087 -176.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.43 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . 10.5 t -155.41 140.65 12.35 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-O 120.744 0.306 . . . . 0.0 111.092 -179.382 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 126' ' ' THR . 13.6 Cg_exo -69.8 130.75 19.83 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.814 2.343 . . . . 0.0 110.608 172.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 62.08 93.91 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 O-C-N 123.786 0.679 . . . . 0.0 110.829 -175.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -57.97 -54.59 45.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.451 -177.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -120.57 128.61 53.23 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -77.84 81.62 4.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.246 0.546 . . . . 0.0 111.603 -176.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.2 t -112.71 113.11 25.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.589 0.709 . . . . 0.0 109.993 173.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 28.7 m -85.22 -5.03 9.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.626 -177.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 . . . . . 0 C--N 1.325 -0.469 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.537 -178.233 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.9 mmm . . . . . 0 N--CA 1.483 1.176 0 CA-C-O 120.762 0.315 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.24 159.22 42.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.14 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 62.18 29.97 17.6 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 123.455 0.472 . . . . 0.0 110.581 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -54.12 132.35 42.79 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.59 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.8 m -122.86 78.65 49.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.961 0.41 . . . . 0.0 110.827 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.406 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . 98.8 Cg_endo -100.89 -171.39 0.1 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.178 0 C-N-CA 123.468 2.778 . . . . 0.0 112.044 176.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -128.72 -67.27 0.8 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.431 176.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.8 m -69.0 -33.19 73.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.143 0.497 . . . . 0.0 110.865 -178.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.456 ' O ' ' HD2' ' A' ' 13' ' ' ARG . . . -63.3 -27.81 69.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.705 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.541 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 92.5 mt -60.94 -51.67 68.29 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.549 0.214 . . . . 0.0 110.843 -179.504 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.594 ' CZ3' ' HG3' ' A' ' 21' ' ' PRO . 2.3 m95 -62.72 -36.09 81.84 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.143 179.009 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -61.64 -39.69 92.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.316 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.456 ' HD2' ' O ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -70.8 -38.32 73.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.052 176.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.61 HD22 ' HB2' ' A' ' 19' ' ' TRP . 74.8 mt -66.58 -52.79 41.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.154 -177.507 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.6 mp -54.89 -24.57 23.99 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.895 178.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.0 m -58.52 -43.45 89.16 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.358 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.429 ' HA ' ' HD2' ' A' ' 17' ' ' ARG . 19.0 tpt180 -166.99 -49.13 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -177.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' A' ' 19' ' ' TRP . . . -96.89 132.97 11.21 Favored Glycine 0 C--O 1.226 -0.399 0 C-N-CA 120.323 -0.941 . . . . 0.0 112.988 -173.097 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.61 ' HB2' HD22 ' A' ' 14' ' ' LEU . 21.1 m95 73.48 117.23 0.05 Allowed 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.809 0.814 . . . . 0.0 111.228 -178.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -114.09 136.02 22.16 Favored Pre-proline 0 C--N 1.318 -0.773 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.233 -177.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.673 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 6.7 Cg_exo -74.11 134.4 19.39 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.183 1.922 . . . . 0.0 110.932 171.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.49 HG13 ' HB1' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -97.98 -178.04 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.103 0.478 . . . . 0.0 111.635 -179.348 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.541 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 61.8 mt-10 -139.36 164.75 29.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.493 -174.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.478 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -79.32 -46.18 18.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.038 0.447 . . . . 0.0 111.16 -176.14 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.8 m -79.21 -15.12 58.53 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.833 -177.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.9 m -105.58 -20.12 13.56 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.834 -176.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.622 ' O ' HG13 ' A' ' 31' ' ' ILE . 14.4 p -60.91 -35.54 65.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 O-C-N 122.178 -0.326 . . . . 0.0 111.006 -177.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -65.74 -31.43 72.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.282 0.563 . . . . 0.0 110.556 -176.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.548 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 32.4 t70 -85.91 -36.78 19.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.321 178.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.533 ' O ' HG22 ' A' ' 34' ' ' VAL . 60.2 t90 -58.29 -41.51 84.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.619 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.622 HG13 ' O ' ' A' ' 27' ' ' VAL . 96.7 mt -54.42 -50.86 54.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.148 -178.356 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.548 ' HE2' ' HA ' ' A' ' 29' ' ' ASP . 31.6 mtmt -60.43 -57.83 11.08 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.38 0.609 . . . . 0.0 110.695 179.141 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.6 ttt-85 -53.55 -46.65 70.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.296 -1.32 . . . . 0.0 112.481 -171.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 30' ' ' TRP . 22.1 m -83.53 -31.49 8.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.024 -178.347 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.55 -52.99 3.92 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.214 178.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -126.14 124.22 40.04 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.942 0.401 . . . . 0.0 110.087 -175.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.561 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . 175.72 -176.65 47.51 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 111.736 -0.546 . . . . 0.0 111.736 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.543 HG12 ' HA ' ' A' ' 97' ' ' VAL . 14.7 m -139.88 139.89 36.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.916 0.358 . . . . 0.0 111.211 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.47 HG21 HG21 ' A' ' 83' ' ' ILE . 2.2 mp -108.08 119.05 56.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.219 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 mp -91.7 125.2 36.34 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 174.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.426 HD11 ' HZ ' ' A' ' 87' ' ' PHE . 10.2 mp -81.55 107.08 14.02 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 173.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.542 ' HA ' ' O ' ' A' ' 76' ' ' ASP . 14.0 m 66.79 169.94 0.24 Allowed 'General case' 0 CA--C 1.533 0.297 0 O-C-N 123.724 0.64 . . . . 0.0 110.529 -171.64 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.1 p -113.24 -87.8 0.56 Allowed 'General case' 0 C--N 1.323 -0.574 0 O-C-N 122.116 -0.365 . . . . 0.0 110.944 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.869 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 25.0 t70 -125.08 -48.62 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.531 178.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.869 ' HD2' ' H ' ' A' ' 44' ' ' ASP . 19.2 Cg_endo -59.74 120.2 7.87 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 121.649 1.566 . . . . 0.0 110.647 170.298 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 46' ' ' ARG . 42.2 mtt180 -137.04 159.01 43.14 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -175.454 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -53.99 -41.92 68.43 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.246 0.546 . . . . 0.0 110.364 178.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.409 ' O ' HG23 ' A' ' 48' ' ' THR . 5.5 t -154.69 86.51 3.53 Favored Pre-proline 0 N--CA 1.447 -0.582 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.967 174.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -66.21 -43.19 9.03 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.469 2.113 . . . . 0.0 112.591 -178.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 65.97 -71.59 0.09 Allowed 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.841 0.713 . . . . 0.0 111.646 -178.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.4 m -82.88 166.76 2.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.663 0.268 . . . . 0.0 110.538 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.4 m -109.12 107.46 17.77 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -178.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -153.11 121.83 6.42 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -103.21 148.72 36.09 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.967 0.413 . . . . 0.0 111.511 -170.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -78.41 5.64 5.35 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.325 2.017 . . . . 0.0 112.227 178.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.3 t -68.46 -23.46 28.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 121.356 0.598 . . . . 0.0 109.918 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -63.49 -31.11 72.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.941 177.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.5 mp -68.13 -36.01 73.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-O 121.108 0.48 . . . . 0.0 109.833 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.75 -37.07 85.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.874 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.57 ' OE2' ' HD3' ' A' ' 63' ' ' ARG . 7.6 tp10 -71.22 -40.36 71.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.713 178.47 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.1 tt -56.44 -46.63 80.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.276 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.428 ' O ' HD23 ' A' ' 62' ' ' LEU . 5.0 tt -51.61 -41.58 61.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.936 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.57 ' HD3' ' OE2' ' A' ' 60' ' ' GLU . 74.6 mtp180 -66.21 -38.05 87.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.172 -172.085 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.474 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 10.0 pt-20 -104.3 22.76 14.25 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -171.467 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -99.16 101.36 12.4 Favored Pre-proline 0 C--N 1.331 -0.236 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 174.415 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.474 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 92.3 Cg_endo -91.35 11.23 2.54 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 123.006 2.471 . . . . 0.0 113.826 -173.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.99 -79.88 0.41 Allowed 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.271 -177.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -108.26 157.6 18.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.071 0.462 . . . . 0.0 111.354 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -105.75 95.11 5.57 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.561 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -100.92 165.89 11.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.27 0.557 . . . . 0.0 112.126 -173.179 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -103.54 119.87 39.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.271 178.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.8 t -91.35 128.18 43.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.807 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.49 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -131.65 141.79 49.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.845 -179.099 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.673 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 3.5 p -132.75 140.66 46.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.478 -177.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.8 161.03 13.88 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 177.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.542 ' O ' ' HA ' ' A' ' 42' ' ' SER . 4.0 p-10 -74.21 -91.26 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.599 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.568 HD21 ' O ' ' A' ' 45' ' ' PRO . 82.3 mt -142.63 -49.3 0.35 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.185 0.517 . . . . 0.0 110.283 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -70.52 -33.4 71.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.866 -177.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.419 ' O ' HG13 ' A' ' 83' ' ' ILE . 2.9 mp0 -75.0 -32.35 61.63 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.782 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.8 m -50.71 -53.71 29.14 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -176.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.434 ' HG3' ' HE ' ' A' ' 90' ' ' ARG . 42.6 tt0 -66.56 -42.16 87.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.735 0.303 . . . . 0.0 111.169 -177.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.69 -41.84 98.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.217 -179.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.47 HG21 HG21 ' A' ' 39' ' ' ILE . 79.8 mt -68.46 -40.08 81.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.101 176.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.624 ' HA2' ' CE1' ' A' ' 87' ' ' PHE . . . -60.82 -37.31 93.46 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.528 178.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -60.44 -38.2 83.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.87 0.367 . . . . 0.0 110.625 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.445 ' HB3' ' O ' ' A' ' 83' ' ' ILE . 3.0 tpm_? -48.7 -49.4 38.08 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.376 177.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.624 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 3.1 p90 -106.1 14.98 27.02 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.791 0.329 . . . . 0.0 111.603 -179.081 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 63.87 21.69 12.73 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.401 174.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.469 ' HB ' ' CD1' ' A' ' 87' ' ' PHE . 61.9 t -120.47 93.58 2.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.108 0.48 . . . . 0.0 109.761 178.534 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.434 ' HE ' ' HG3' ' A' ' 81' ' ' GLU . 0.2 OUTLIER -133.13 25.55 4.22 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.84 -177.629 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 92' ' ' PHE . 37.0 ttt85 -104.32 110.36 22.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.744 176.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 63.3 m-85 71.36 151.77 0.14 Allowed Pre-proline 0 N--CA 1.47 0.537 0 O-C-N 124.054 0.846 . . . . 0.0 111.6 -177.131 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 92' ' ' PHE . 6.6 Cg_exo -74.01 110.72 3.14 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.689 2.259 . . . . 0.0 111.58 176.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -128.93 174.15 9.77 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.787 -177.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.0 m -124.97 123.03 39.0 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.488 ' HB3' HD11 ' A' ' 103' ' ' LEU . 6.2 mp -98.43 143.87 28.4 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.943 -178.559 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.543 ' HA ' HG12 ' A' ' 38' ' ' VAL . 46.3 t -99.71 113.83 36.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.824 -175.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.451 ' CE2' HD13 ' A' ' 103' ' ' LEU . 87.2 m-85 -108.64 119.93 40.97 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.768 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.652 ' OG1' ' HG3' ' A' ' 104' ' ' ARG . 0.5 OUTLIER -148.37 150.78 34.16 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.886 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.47 ' HB2' ' O ' ' A' ' 99' ' ' THR . 4.6 m-20 69.26 12.81 8.5 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.532 0.52 . . . . 0.0 110.692 -174.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.92 12.48 83.38 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.648 -176.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -132.32 167.42 19.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.05 0.452 . . . . 0.0 111.107 -177.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.488 HD11 ' HB3' ' A' ' 96' ' ' LEU . 45.6 tp -87.68 109.87 20.0 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.711 176.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.652 ' HG3' ' OG1' ' A' ' 99' ' ' THR . 18.5 mmt180 -82.92 -38.02 23.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.733 -178.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.435 ' HA3' HD13 ' A' ' 123' ' ' ILE . . . 172.67 -145.82 8.74 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.278 -178.293 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.436 ' HA ' ' HA ' ' A' ' 96' ' ' LEU . . . -134.62 162.25 32.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.689 0.244 . . . . 0.0 110.885 -177.413 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.415 HD21 HD21 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -109.24 14.53 23.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.785 0.802 . . . . 0.0 109.126 -178.351 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.2 m -129.1 97.36 4.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.017 -176.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -121.87 -67.29 0.24 Allowed Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 174.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.437 ' O ' ' HB2' ' A' ' 111' ' ' HIS . 10.5 tt -143.84 97.08 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 173.406 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.437 ' HB2' ' O ' ' A' ' 110' ' ' ILE . 91.8 m-70 71.71 139.41 0.06 OUTLIER Pre-proline 0 N--CA 1.47 0.571 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.405 -172.032 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.83 -43.66 55.1 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.902 2.401 . . . . 0.0 112.81 -177.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -116.62 103.3 10.24 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.005 -178.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -176.83 -59.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.361 175.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.469 ' O ' HD23 ' A' ' 119' ' ' LEU . 17.4 mm-40 -74.38 -6.51 48.57 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.259 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.654 ' HA ' ' HB2' ' A' ' 119' ' ' LEU . 17.9 mt -54.77 -32.43 60.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.773 0.321 . . . . 0.0 111.047 175.514 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.2 -35.84 78.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.77 177.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.7 m -87.18 -34.78 18.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.968 0.413 . . . . 0.0 110.172 177.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.654 ' HB2' ' HA ' ' A' ' 116' ' ' LEU . 1.2 mm? -54.66 -49.56 70.31 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.516 177.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.782 ' HA ' HG23 ' A' ' 124' ' ' VAL . 22.0 ptp -66.1 -12.59 56.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.466 -178.337 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.554 ' HA ' ' CZ ' ' A' ' 121' ' ' ARG . 2.8 tpm_? -99.87 -55.36 2.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.237 0.541 . . . . 0.0 110.744 177.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.7 t -75.5 -52.36 10.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.077 -171.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.511 HD12 HD13 ' A' ' 119' ' ' LEU . 47.0 mt -93.01 -50.34 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -171.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.782 HG23 ' HA ' ' A' ' 120' ' ' MET . 6.0 m -110.7 61.79 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.336 0.588 . . . . 0.0 110.999 -178.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.06 -59.57 4.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.778 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.757 ' HB ' ' HG3' ' A' ' 130' ' ' GLN . 37.4 m 73.61 125.3 0.03 OUTLIER Pre-proline 0 CA--C 1.534 0.332 0 O-C-N 123.658 0.599 . . . . 0.0 111.665 176.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 126' ' ' THR . 21.5 Cg_exo -66.62 151.13 83.4 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 122.997 2.465 . . . . 0.0 113.035 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 62.66 -97.07 0.06 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.281 -0.872 . . . . 0.0 113.115 176.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -101.93 123.15 45.35 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -169.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.757 ' HG3' ' HB ' ' A' ' 126' ' ' THR . 0.0 OUTLIER -176.31 173.99 2.04 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.471 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 74.97 -66.31 0.3 Allowed 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.381 0.672 . . . . 0.0 112.075 172.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 4.4 t -65.51 107.11 1.59 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.344 0.592 . . . . 0.0 111.32 -176.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.756 HG23 ' H ' ' A' ' 134' ' ' GLN . 2.4 m -131.69 -76.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.719 179.098 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.756 ' H ' HG23 ' A' ' 133' ' ' VAL . 52.3 tt0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.73 0.3 . . . . 0.0 110.318 -177.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.5 mtt . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 120.341 0.115 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 60.5 65.1 1.09 Allowed 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.804 0.69 . . . . 0.0 112.537 172.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -145.22 83.66 1.68 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 170.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -127.56 92.27 3.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.221 -173.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.3 t -79.82 146.07 63.48 Favored Pre-proline 0 C--N 1.319 -0.733 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 175.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.46 ' HG2' HG22 ' A' ' 51' ' ' VAL . 31.7 Cg_exo -60.45 81.68 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.989 2.459 . . . . 0.0 112.566 179.17 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.462 ' HB3' ' H ' ' A' ' 8' ' ' SER . 33.8 m-85 -159.75 -153.64 0.36 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.468 -1.242 . . . . 0.0 108.262 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.462 ' H ' ' HB3' ' A' ' 7' ' ' PHE . 21.4 m -61.3 -14.54 27.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.687 0.279 . . . . 0.0 111.595 178.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.48 -29.73 69.91 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-O 121.034 0.445 . . . . 0.0 110.529 174.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -73.65 -41.21 63.03 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 177.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 45.3 t-105 -64.17 -31.19 72.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.173 176.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -56.74 -31.11 64.23 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.091 0.472 . . . . 0.0 110.99 178.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 13' ' ' ARG . 12.1 mmt85 -62.08 -28.25 69.48 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.938 179.24 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.631 HD22 ' HB2' ' A' ' 19' ' ' TRP . 37.5 mt -73.65 -29.77 62.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.449 0.642 . . . . 0.0 110.573 -178.254 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 mp -73.68 -26.36 60.69 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.819 175.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.4 m -64.81 -50.82 65.21 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.924 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -178.19 -32.56 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 178.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.611 ' O ' ' HA ' ' A' ' 14' ' ' LEU . . . -71.2 132.1 20.83 Favored Glycine 0 C--O 1.226 -0.382 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.51 -176.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.631 ' HB2' HD22 ' A' ' 14' ' ' LEU . 29.7 m0 62.46 -172.18 0.16 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.373 0.606 . . . . 0.0 111.645 -179.112 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.422 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 27.9 mm-40 -149.16 128.19 6.19 Favored Pre-proline 0 N--CA 1.444 -0.748 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.58 175.597 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 20' ' ' GLN . 1.7 Cg_endo -81.48 108.12 1.9 Allowed 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 122.718 2.279 . . . . 0.0 111.586 177.258 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.497 HG13 ' HB1' ' A' ' 73' ' ' ALA . 5.4 m -92.49 -173.05 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.415 -177.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.556 ' HB3' HG22 ' A' ' 26' ' ' THR . 2.5 tm-20 -133.62 179.54 6.16 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.819 -172.46 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.6 -32.24 12.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.327 -176.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.55 ' H ' ' CD ' ' A' ' 23' ' ' GLU . 3.8 m -90.76 -37.7 13.5 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.828 0.347 . . . . 0.0 111.071 -179.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.556 HG22 ' HB3' ' A' ' 23' ' ' GLU . 1.1 t -72.78 -7.46 50.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.752 0.31 . . . . 0.0 111.509 -177.535 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -58.91 -34.68 53.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.391 -175.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -59.53 -53.91 52.68 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.045 0.45 . . . . 0.0 110.7 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -70.8 -38.19 73.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.911 -175.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.609 ' O ' HG22 ' A' ' 34' ' ' VAL . 26.9 t90 -61.23 -52.31 65.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.553 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.0 mm -63.08 -42.42 96.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.9 0.381 . . . . 0.0 110.735 -178.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.494 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -65.72 -32.14 73.52 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.16 179.733 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -75.92 -47.05 26.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.002 0.43 . . . . 0.0 110.892 -175.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 30' ' ' TRP . 25.3 m -85.4 -52.1 12.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.396 -178.253 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.408 ' N ' HG23 ' A' ' 34' ' ' VAL . . . 91.95 -26.02 14.52 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.168 -0.539 . . . . 0.0 111.858 -177.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -128.91 139.32 52.18 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 122.747 0.419 . . . . 0.0 110.073 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 71' ' ' GLN . . . 157.21 171.1 22.86 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.487 178.394 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.562 HG12 ' HA ' ' A' ' 97' ' ' VAL . 28.8 m -134.0 136.05 54.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.933 0.397 . . . . 0.0 111.046 179.128 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.485 HD13 ' CE1' ' A' ' 98' ' ' PHE . 2.3 mp -107.0 124.39 62.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.661 175.308 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.666 ' HG ' HG12 ' A' ' 58' ' ' ILE . 0.8 OUTLIER -82.94 121.43 26.97 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 175.408 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.3 mp -88.65 116.44 26.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.36 177.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.7 m 64.67 -169.27 0.2 Allowed 'General case' 0 C--N 1.333 -0.148 0 O-C-N 123.809 0.693 . . . . 0.0 111.836 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.0 m -143.57 25.78 1.64 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.3 -0.864 . . . . 0.0 108.81 174.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -65.13 142.51 98.61 Favored Pre-proline 0 C--O 1.235 0.304 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.721 -177.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -73.11 174.78 11.46 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.546 2.164 . . . . 0.0 112.009 178.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.454 ' HA ' ' HD3' ' A' ' 46' ' ' ARG . 21.4 mmt180 -66.82 -29.96 70.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.919 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.552 ' HG2' ' OG1' ' A' ' 48' ' ' THR . 0.0 OUTLIER -178.04 -41.83 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 O-C-N 123.534 0.521 . . . . 0.0 110.466 171.858 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.552 ' OG1' ' HG2' ' A' ' 47' ' ' ARG . 1.6 m -119.24 111.31 36.88 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.164 -176.174 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -91.61 110.11 0.3 Allowed 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 122.62 2.213 . . . . 0.0 111.966 174.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.05 -71.66 0.51 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 176.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.46 HG22 ' HG2' ' A' ' 6' ' ' PRO . 7.7 p -72.73 -29.27 29.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.334 178.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.6 m 67.41 171.26 0.26 Allowed 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.447 175.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.5 t0 42.08 69.1 0.39 Allowed 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.571 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -149.97 98.33 3.36 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.535 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -85.79 13.56 2.71 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 123.306 2.671 . . . . 0.0 112.214 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.8 m -73.76 107.33 4.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.542 0.687 . . . . 0.0 111.14 -178.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 46.3 ttm 173.44 -46.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.735 -1.12 . . . . 0.0 109.133 -177.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.666 HG12 ' HG ' ' A' ' 40' ' ' LEU . 2.8 mp -73.04 -25.39 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.387 -179.266 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.56 -45.59 82.74 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 174.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 1.7 mp0 -63.78 -38.0 89.45 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.322 174.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.55 ' HB2' ' HA ' ' A' ' 58' ' ' ILE . 0.1 OUTLIER -53.71 -53.49 51.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.125 176.212 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.626 HD22 ' HB ' ' A' ' 72' ' ' VAL . 14.3 tp -69.64 -37.26 76.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.899 -174.085 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.411 ' HG2' ' HA ' ' A' ' 60' ' ' GLU . 11.5 ptm180 -74.37 -2.31 24.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.874 0.369 . . . . 0.0 111.636 -173.4 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 5.9 mm-40 -86.11 -3.33 58.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.444 175.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.8 96.17 19.22 Favored Pre-proline 0 C--N 1.334 -0.101 0 CA-C-O 120.896 0.379 . . . . 0.0 111.086 177.479 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 94.9 Cg_endo -93.29 16.32 1.28 Allowed 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 123.063 2.509 . . . . 0.0 111.904 176.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.64 -64.68 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.74 -174.449 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.471 ' HD1' ' H ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -132.21 152.95 51.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.112 0.482 . . . . 0.0 111.686 -175.356 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -94.24 129.14 40.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.34 -175.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -149.04 179.02 8.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.564 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.413 ' O ' ' HA2' ' A' ' 37' ' ' GLY . 28.2 mp0 -94.42 148.09 22.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.102 0.477 . . . . 0.0 111.753 -176.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.626 ' HB ' HD22 ' A' ' 62' ' ' LEU . 6.8 p -123.06 133.37 69.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.672 175.49 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.497 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -143.07 157.74 44.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.945 0.403 . . . . 0.0 111.573 -177.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.508 HG11 ' CE3' ' A' ' 19' ' ' TRP . 24.1 m -133.49 161.68 40.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.946 -178.212 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.91 157.38 46.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.063 0.458 . . . . 0.0 111.759 -177.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.402 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 17.3 t70 -67.88 151.89 46.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.205 179.155 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.5 tt -57.71 -46.88 83.78 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.404 -177.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.68 -36.61 82.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.176 0.512 . . . . 0.0 110.362 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.473 ' OE1' ' HG2' ' A' ' 23' ' ' GLU . 1.8 tt0 -67.77 -39.08 84.14 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.148 -179.136 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.489 ' HA ' ' HB ' ' A' ' 83' ' ' ILE . 39.5 t -59.06 -29.6 67.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.572 179.048 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -61.06 -42.91 99.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.24 0.543 . . . . 0.0 109.659 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.25 -28.68 53.71 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.693 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.489 ' HB ' ' HA ' ' A' ' 80' ' ' SER . 66.7 mt -66.84 -51.12 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.57 177.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.09 -28.91 69.72 Favored Glycine 0 C--O 1.226 -0.367 0 C-N-CA 120.743 -0.742 . . . . 0.0 111.573 176.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -69.79 -38.99 76.85 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.613 0.72 . . . . 0.0 110.35 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -53.64 -57.59 10.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.507 -1.224 . . . . 0.0 112.219 -178.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.438 ' O ' ' HB3' ' A' ' 88' ' ' ASN . 0.5 OUTLIER -91.86 -15.72 27.76 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.208 -175.696 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.438 ' HB3' ' O ' ' A' ' 87' ' ' PHE . 52.8 t30 80.43 68.49 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 O-C-N 124.743 1.277 . . . . 0.0 109.737 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 23.5 t -129.45 152.36 37.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.032 -178.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -71.3 150.7 44.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.054 178.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -90.37 92.75 9.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.954 0.407 . . . . 0.0 111.859 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -140.36 152.49 66.9 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 173.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -53.98 103.23 0.09 OUTLIER 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.624 2.216 . . . . 0.0 111.734 177.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -147.99 159.47 43.85 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.894 -175.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 27.5 m -119.47 124.19 45.87 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.679 176.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.444 ' HB3' HD11 ' A' ' 103' ' ' LEU . 64.9 mt -92.03 124.86 36.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.009 0.433 . . . . 0.0 110.007 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.562 ' HA ' HG12 ' A' ' 38' ' ' VAL . 64.3 t -96.21 113.05 29.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.459 -178.063 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.485 ' CE1' HD13 ' A' ' 39' ' ' ILE . 84.8 m-85 -105.05 114.46 28.67 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.879 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.2 m -142.47 149.72 39.59 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 177.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.7 t70 69.95 9.64 7.17 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.792 0.806 . . . . 0.0 109.748 -176.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.23 0.76 89.44 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.568 -173.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -110.51 149.59 30.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.898 0.38 . . . . 0.0 111.184 -177.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.444 HD11 ' HB3' ' A' ' 96' ' ' LEU . 44.1 tp -72.24 97.46 1.99 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 169.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.56 ' HG3' HD13 ' A' ' 123' ' ' ILE . 22.6 tpp85 -97.33 -33.23 11.51 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.576 -168.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -133.65 147.86 19.19 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.078 -1.058 . . . . 0.0 112.992 -177.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.57 99.22 3.44 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 175.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -115.62 139.16 50.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.988 0.423 . . . . 0.0 111.483 -173.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.7 m -118.84 16.07 13.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.404 177.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -69.04 167.3 46.33 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 121.113 -0.565 . . . . 0.0 112.736 -177.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.449 ' N ' HD12 ' A' ' 110' ' ' ILE . 4.2 mp -94.66 -75.07 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 110.165 -179.181 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.664 ' HB3' ' HD3' ' A' ' 112' ' ' PRO . 2.6 t-160 -148.4 -49.68 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 177.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.664 ' HD3' ' HB3' ' A' ' 111' ' ' HIS . 4.4 Cg_exo -77.96 58.86 6.7 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.145 1.897 . . . . 0.0 110.555 168.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.696 ' CD1' ' HB2' ' A' ' 116' ' ' LEU . 3.3 p90 -71.03 -36.97 72.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.335 -173.451 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 68.55 -54.3 0.54 Allowed 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.755 0.659 . . . . 0.0 112.46 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.413 ' O ' ' HG ' ' A' ' 119' ' ' LEU . 46.3 mt-10 -52.98 -42.07 65.2 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -174.39 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.696 ' HB2' ' CD1' ' A' ' 113' ' ' TRP . 14.7 mt -56.93 -32.89 66.43 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -177.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.573 ' O ' ' HB2' ' A' ' 121' ' ' ARG . 3.9 mm? -60.21 -36.29 77.33 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.814 0.34 . . . . 0.0 110.639 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.8 m -87.41 -37.16 17.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.092 0.472 . . . . 0.0 111.015 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 115' ' ' GLU . 86.8 mt -69.24 -50.97 42.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.993 -175.119 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.516 ' HG3' ' O ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -71.45 -27.29 63.16 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.619 -0.432 . . . . 0.0 109.98 -177.266 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.573 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 26.7 ttt180 -56.36 -43.75 79.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.057 177.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.4 m -76.72 -30.26 56.56 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.756 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.56 HD13 ' HG3' ' A' ' 104' ' ' ARG . 87.1 mt -86.57 -50.21 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -171.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 16.9 m -105.96 68.48 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 122.023 0.916 . . . . 0.0 109.888 -175.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -50.53 -48.77 57.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.069 -1.423 . . . . 0.0 111.734 -178.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.3 m 52.3 84.86 0.2 Allowed Pre-proline 0 CA--C 1.534 0.347 0 O-C-N 123.599 0.562 . . . . 0.0 112.094 176.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.73 44.3 1.52 Allowed 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 122.693 2.262 . . . . 0.0 112.679 -177.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -163.92 152.55 13.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.623 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.56 129.25 56.65 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 174.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -123.37 123.58 41.02 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -171.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.546 ' OE2' HG13 ' A' ' 133' ' ' VAL . 4.9 tp10 70.09 153.86 0.12 Allowed 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 114.323 -1.308 . . . . 0.0 113.715 167.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 9.1 t -163.61 26.82 0.08 Allowed 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.394 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.546 HG13 ' OE2' ' A' ' 131' ' ' GLU . 3.5 m -55.86 -32.7 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -179.317 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.017 0.437 . . . . 0.0 110.331 175.604 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.7 ptm . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 71.4 152.72 0.12 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.24 -173.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -78.87 83.4 5.0 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.977 0.418 . . . . 0.0 110.96 -176.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -80.53 -20.57 43.22 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.47 0.652 . . . . 0.0 109.638 176.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.5 m -125.15 73.52 66.37 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.533 174.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -85.5 43.54 1.23 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.933 2.422 . . . . 0.0 112.748 -173.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -100.91 -22.99 14.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.8 m 58.51 22.62 9.85 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.572 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.66 -27.62 66.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.588 -178.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.682 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 2.8 mm? -52.98 -48.47 67.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.162 -179.381 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.559 ' HE3' ' HB2' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -59.74 -32.39 70.51 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.814 -174.909 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -62.6 -49.8 73.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.292 0.567 . . . . 0.0 110.708 178.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.469 ' HD3' ' HA ' ' A' ' 13' ' ' ARG . 18.6 mmt180 -75.09 -28.17 60.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.958 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.682 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 77.0 mt -64.48 -37.6 88.12 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 175.044 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.09 -26.91 67.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.784 174.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.3 m -68.58 -50.3 52.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.364 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -160.87 131.75 5.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.759 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 119.51 -66.42 0.4 Allowed Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.574 -0.822 . . . . 0.0 113.024 173.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.629 ' HB2' ' HB3' ' A' ' 14' ' ' LEU . 14.3 m95 -95.93 123.31 39.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.083 0.468 . . . . 0.0 110.83 -174.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -93.13 122.3 63.69 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.504 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.496 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 51.3 Cg_endo -72.69 102.88 1.47 Allowed 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.326 2.017 . . . . 0.0 111.44 175.198 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.0 m -87.28 172.36 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.481 -177.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.542 ' HG2' ' HG3' ' A' ' 79' ' ' GLN . 40.3 mt-10 -148.42 162.32 39.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.739 -173.142 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.64 -26.94 55.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.757 0.313 . . . . 0.0 110.792 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.6 m -66.75 -19.36 65.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.663 -178.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 t -140.37 19.6 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.074 0.464 . . . . 0.0 111.067 -177.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.445 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 13.5 p -66.13 -43.59 92.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.281 -175.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -60.29 -43.64 96.1 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.968 0.413 . . . . 0.0 110.826 -178.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 33' ' ' ARG . 14.9 t70 -63.61 -47.61 80.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.77 -179.124 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.434 ' O ' HG22 ' A' ' 34' ' ' VAL . 74.8 t90 -59.96 -48.22 82.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.856 -177.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.443 HG23 ' HB3' ' A' ' 98' ' ' PHE . 78.7 mt -58.32 -45.27 89.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.699 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -67.32 -40.02 85.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.582 0.706 . . . . 0.0 110.841 -178.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 1.8 tmt_? -64.13 -44.87 90.88 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.616 -1.175 . . . . 0.0 111.478 -177.597 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 30' ' ' TRP . 33.7 m -83.31 -38.89 14.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.315 -179.003 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.9 -39.94 1.83 Allowed Glycine 0 N--CA 1.458 0.161 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.603 178.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -129.01 102.11 6.36 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.726 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . -165.96 -166.11 24.43 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.423 -176.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 96' ' ' LEU . 2.4 p -158.04 140.7 5.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.008 0.433 . . . . 0.0 111.599 -178.596 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.56 HG22 HD12 ' A' ' 41' ' ' LEU . 2.6 mp -109.92 122.43 64.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.344 176.427 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 tt -91.49 124.01 35.34 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 177.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.56 HD12 HG22 ' A' ' 39' ' ' ILE . 10.3 mp -101.32 112.98 25.64 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -176.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.722 ' HB2' ' HB3' ' A' ' 93' ' ' PRO . 66.5 m 64.68 137.33 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 173.395 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.7 m -90.19 94.34 9.73 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 168.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.435 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 7.2 t70 -66.53 120.01 67.35 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.512 -174.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 44' ' ' ASP . 12.8 Cg_exo -70.71 -34.3 11.62 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.787 2.325 . . . . 0.0 112.936 -176.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.552 ' HA ' ' HB3' ' A' ' 52' ' ' SER . 5.0 ptp180 178.81 107.72 0.03 OUTLIER 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.451 0.643 . . . . 0.0 110.337 -175.374 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -104.44 -34.18 8.34 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.651 -179.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.6 t -167.16 156.65 9.6 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 -178.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -67.85 44.36 0.27 Allowed 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.841 2.361 . . . . 0.0 113.034 175.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -152.29 95.12 2.01 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.5 t 59.48 88.07 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-O 121.567 0.698 . . . . 0.0 111.775 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.552 ' HB3' ' HA ' ' A' ' 46' ' ' ARG . 70.0 m -155.8 77.13 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.21 176.367 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -167.15 -144.11 0.06 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.733 -175.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.488 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 55.0 m-20 -47.26 119.05 5.94 Favored Pre-proline 0 N--CA 1.468 0.433 0 O-C-N 123.795 0.684 . . . . 0.0 112.067 -173.408 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' A' ' 54' ' ' ASN . 3.7 Cg_exo -77.78 44.28 1.52 Allowed 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 123.604 2.869 . . . . 0.0 113.104 -176.19 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.2 t -75.83 -14.83 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.176 0.513 . . . . 0.0 110.535 -179.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 52.5 ttm -54.81 -45.56 74.42 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.931 -176.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.8 mp -64.78 -37.32 79.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-O 120.676 0.274 . . . . 0.0 111.111 -176.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.75 -39.12 84.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.861 0.362 . . . . 0.0 111.306 -177.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 10.9 tp10 -73.3 -39.59 65.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.149 0.5 . . . . 0.0 109.916 178.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.38 -35.2 71.64 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.927 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 59.1 tp -57.9 -45.73 86.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.059 -176.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 8.8 ptp180 -76.36 -16.38 59.75 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -173.328 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.498 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 7.0 tp10 -102.42 2.98 37.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.059 0.457 . . . . 0.0 110.64 -176.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.14 102.97 17.34 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.518 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.498 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 73.0 Cg_endo -91.21 0.95 4.75 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.854 2.37 . . . . 0.0 113.005 -177.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -92.64 -17.95 23.67 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -173.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.7 ' HZ ' HG11 ' A' ' 124' ' ' VAL . 74.5 m-85 -132.83 165.03 25.53 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.737 0.78 . . . . 0.0 112.931 -173.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -132.5 35.7 3.62 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 173.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.726 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . 0.1 OUTLIER -74.02 164.95 25.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.271 -1.331 . . . . 0.0 113.363 -169.871 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -102.83 125.0 49.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.718 -1.128 . . . . 0.0 109.637 175.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.9 t -87.48 130.8 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.61 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -137.69 160.49 39.06 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.523 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.543 HG22 ' H ' ' A' ' 76' ' ' ASP . 4.4 p -139.4 141.44 35.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.61 31.79 3.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.152 -176.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.543 ' H ' HG22 ' A' ' 74' ' ' VAL . 25.6 t70 56.46 -105.98 0.3 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.668 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.418 HD12 ' C ' ' A' ' 76' ' ' ASP . 6.1 mp -140.52 -51.86 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 110.344 175.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.88 -53.15 61.52 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.453 -176.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.542 ' HG3' ' HG2' ' A' ' 23' ' ' GLU . 82.6 mm-40 -65.88 -25.67 67.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.487 -177.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.6 m -63.43 -37.27 86.66 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.249 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -65.85 -40.17 91.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.86 0.362 . . . . 0.0 110.224 179.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.56 -39.65 91.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.836 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.7 mt -69.1 -42.54 81.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.48 177.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.429 ' HA2' HG23 ' A' ' 89' ' ' VAL . . . -64.04 -28.79 73.33 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.537 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -75.45 -40.88 56.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.95 0.405 . . . . 0.0 110.849 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -45.25 -48.37 12.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.797 -1.092 . . . . 0.0 112.326 -175.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -122.68 12.96 9.98 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.323 -178.427 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 50.0 t30 58.69 80.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.588 0.708 . . . . 0.0 111.949 175.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.429 HG23 ' HA2' ' A' ' 84' ' ' GLY . 4.0 t -86.39 44.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.954 175.009 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 62.59 12.02 5.19 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.071 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 62.6 22.84 13.57 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.35 -175.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 53.8 m-85 -112.08 128.87 24.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.759 0.314 . . . . 0.0 110.729 177.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.722 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 17.1 Cg_exo -67.66 125.71 13.67 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.94 2.427 . . . . 0.0 111.536 176.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -154.39 -170.33 3.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.709 -178.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.9 m -111.48 114.81 28.17 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 38' ' ' VAL . 6.1 mp -103.33 127.93 50.55 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.662 0.268 . . . . 0.0 111.246 -176.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.496 HG23 HD23 ' A' ' 107' ' ' LEU . 78.4 t -80.06 127.87 39.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.159 177.663 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.443 ' HB3' HG23 ' A' ' 31' ' ' ILE . 79.3 m-85 -121.45 97.9 5.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.305 0.574 . . . . 0.0 110.821 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.465 HG21 ' CE1' ' A' ' 68' ' ' PHE . 50.2 p -131.95 169.97 15.55 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 178.363 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 71.21 5.16 5.35 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.685 0.615 . . . . 0.0 109.945 -177.098 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 63.6 27.85 71.6 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -166.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -134.57 174.17 10.85 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 121.031 0.443 . . . . 0.0 110.729 -173.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 64.6 tp -91.38 108.66 20.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.022 176.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' A' ' 104' ' ' ARG . 3.3 mmp_? -76.08 -61.03 2.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.145 0.498 . . . . 0.0 109.662 176.154 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 158.34 -179.6 33.91 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.679 -0.692 . . . . 0.0 112.253 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.459 ' HB2' ' HG ' ' A' ' 96' ' ' LEU . . . -101.17 140.96 34.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.667 0.27 . . . . 0.0 110.971 -178.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.496 HD23 HG23 ' A' ' 97' ' ' VAL . 4.0 mm? -115.56 156.9 24.92 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.403 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 30.9 t -136.26 139.32 42.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.745 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -81.22 87.47 1.37 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.116 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 41.8 mm -78.54 -41.98 25.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.104 0.478 . . . . 0.0 110.345 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.413 ' HB3' ' HD2' ' A' ' 112' ' ' PRO . 40.1 m80 -146.5 166.24 17.33 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.422 179.291 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' A' ' 111' ' ' HIS . 26.5 Cg_endo -64.16 86.52 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 121.988 1.792 . . . . 0.0 110.686 169.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.94 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.0 OUTLIER 70.54 -97.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.116 -173.81 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 49.69 -86.96 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -74.81 -21.64 59.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.884 -176.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.94 HD12 ' HA ' ' A' ' 113' ' ' TRP . 37.0 mt -55.46 -31.71 62.17 Favored 'General case' 0 C--O 1.224 -0.258 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -177.63 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.559 HD22 ' HD1' ' A' ' 113' ' ' TRP . 3.9 mm? -53.58 -47.77 69.82 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.937 0.398 . . . . 0.0 111.404 179.287 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 25.3 m -75.42 -34.5 61.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.77 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.448 HD12 HD23 ' A' ' 116' ' ' LEU . 96.8 mt -64.32 -46.91 81.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.543 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -47.96 78.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.344 179.445 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.544 ' O ' ' HD3' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -63.57 -40.75 97.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.893 0.377 . . . . 0.0 110.389 -177.204 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 8.5 t -69.08 -40.96 78.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.959 -177.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.592 HG22 HG13 ' A' ' 124' ' ' VAL . 75.8 mt -77.28 -49.39 22.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.814 0.34 . . . . 0.0 111.255 -178.09 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.7 HG11 ' HZ ' ' A' ' 68' ' ' PHE . 6.3 m -135.04 77.91 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.368 0.604 . . . . 0.0 111.774 -174.688 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -53.13 -41.5 65.13 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.35 176.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 22.9 m 71.81 98.22 0.04 OUTLIER Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.07 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.3 -18.18 26.83 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.694 2.263 . . . . 0.0 113.125 -176.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 65.39 92.06 0.08 Allowed 'General case' 0 N--CA 1.463 0.183 0 O-C-N 123.716 0.635 . . . . 0.0 110.923 -176.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.431 ' HA ' ' OG1' ' A' ' 132' ' ' THR . . . -86.83 21.16 2.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.687 -176.179 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -72.08 100.4 2.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 110.784 -178.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 70.81 -9.95 0.78 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.36 178.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.431 ' OG1' ' HA ' ' A' ' 129' ' ' ALA . 15.4 p -76.4 -41.74 46.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.684 0.278 . . . . 0.0 110.342 176.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 13.8 t 49.52 65.51 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-O 121.666 0.746 . . . . 0.0 110.329 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.373 -174.463 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 120.616 0.246 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.96 114.29 18.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.665 176.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 66.95 -168.62 0.2 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.152 178.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -90.54 -45.69 8.78 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.8 m -95.6 107.75 35.38 Favored Pre-proline 0 N--CA 1.447 -0.608 0 CA-C-N 115.326 -0.852 . . . . 0.0 108.981 172.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -60.27 99.41 0.14 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.886 2.39 . . . . 0.0 113.143 -174.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -126.7 109.44 12.07 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.393 175.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.7 m -64.75 120.61 12.79 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.796 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.22 -28.4 69.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.246 0.546 . . . . 0.0 110.047 177.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.622 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 59.3 tp -56.73 -37.55 71.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.718 176.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.564 ' CZ3' ' HG3' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -56.82 -37.15 70.81 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.226 -179.008 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -56.76 -44.16 81.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.05 0.452 . . . . 0.0 110.569 178.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -73.48 -31.74 63.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.918 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 58.9 mt -68.78 -42.9 76.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.716 -178.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.9 mp -62.18 -25.99 68.09 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.905 0.383 . . . . 0.0 110.882 174.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.5 m -72.79 -56.43 5.25 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 178.94 133.53 0.08 Allowed 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.609 175.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 148.23 -97.21 0.18 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.096 178.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.471 ' CH2' ' HB ' ' A' ' 58' ' ' ILE . 38.1 m0 -92.32 116.02 28.6 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 178.57 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.487 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 0.9 OUTLIER -88.39 131.22 42.93 Favored Pre-proline 0 C--N 1.315 -0.922 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.366 178.843 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.68 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 26.6 Cg_exo -62.44 106.3 0.48 Allowed 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.768 2.312 . . . . 0.0 112.277 -178.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.9 m -87.74 175.26 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.944 179.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.517 ' HG2' ' HB3' ' A' ' 79' ' ' GLN . 0.2 OUTLIER -153.01 178.46 9.68 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.305 -173.882 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.434 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -83.0 -34.97 26.22 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.397 0.618 . . . . 0.0 109.742 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.8 m -63.92 -30.97 72.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.096 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.2 t -121.5 16.66 11.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.673 -175.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.51 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 14.0 p -67.61 -42.22 86.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.739 0.304 . . . . 0.0 110.194 -179.075 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -58.06 -43.85 87.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.158 0.504 . . . . 0.0 110.665 177.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -64.25 -50.68 67.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.012 -176.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.495 ' O ' HG22 ' A' ' 34' ' ' VAL . 84.6 t90 -61.45 -44.33 97.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.981 -176.673 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 88.6 mt -59.55 -42.78 89.19 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.084 0 CA-C-O 120.89 0.376 . . . . 0.0 110.69 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -69.79 -36.49 75.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.225 0.536 . . . . 0.0 110.966 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.454 ' HA ' ' HD2' ' A' ' 33' ' ' ARG . 9.8 mmm180 -71.17 -44.73 64.91 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.497 -174.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 30' ' ' TRP . 34.7 m -90.45 -39.75 12.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.582 -178.301 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.64 -54.27 3.77 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.412 -0.423 . . . . 0.0 112.356 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -122.87 123.6 41.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.862 0.363 . . . . 0.0 110.349 -177.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 172.46 -164.67 37.03 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.279 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.594 HG12 ' HA ' ' A' ' 97' ' ' VAL . 23.1 m -141.25 144.75 25.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.57 0.224 . . . . 0.0 110.805 -179.368 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.519 HG22 HD12 ' A' ' 41' ' ' LEU . 2.0 mp -104.72 112.33 37.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 173.113 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.8 tt -87.09 104.52 16.41 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 175.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.519 HD12 HG22 ' A' ' 39' ' ' ILE . 11.0 mp -62.01 128.65 37.18 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.563 0.22 . . . . 0.0 111.321 -176.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 83.8 p 51.56 -165.65 0.05 Allowed 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.617 0.767 . . . . 0.0 111.92 -175.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.1 m -100.22 5.9 44.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.852 0.358 . . . . 0.0 110.715 178.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.426 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 6.9 t70 -92.83 123.51 61.24 Favored Pre-proline 0 C--N 1.328 -0.353 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 178.353 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.693 ' HG3' ' HG3' ' A' ' 55' ' ' PRO . 21.9 Cg_exo -63.37 -40.52 31.22 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.518 2.145 . . . . 0.0 112.565 -175.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.538 ' HB2' ' O ' ' A' ' 45' ' ' PRO . 41.6 ttp180 161.26 -40.88 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 -173.421 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 47' ' ' ARG . 25.5 ttt85 -176.83 127.17 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.001 -1.454 . . . . 0.0 108.328 173.721 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.439 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 3.6 t -63.57 119.89 57.88 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-O 121.286 0.565 . . . . 0.0 110.84 178.721 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 48' ' ' THR . 10.1 Cg_endo -91.34 8.76 3.11 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 C-N-CA 123.41 2.74 . . . . 0.0 112.119 178.226 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 70.3 -58.91 0.53 Allowed 'General case' 0 CA--C 1.537 0.461 0 O-C-N 123.886 0.741 . . . . 0.0 111.546 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.6 t -53.68 -46.47 61.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 121.344 0.592 . . . . 0.0 110.642 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.1 t -121.34 74.55 1.11 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 172.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -59.92 -42.85 94.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.464 -178.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.483 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 0.9 OUTLIER -84.37 143.72 42.27 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.285 178.095 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.693 ' HG3' ' HG3' ' A' ' 45' ' ' PRO . 6.1 Cg_exo -74.64 44.59 1.12 Allowed 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.479 2.786 . . . . 0.0 112.837 -178.351 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.57 -17.83 17.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.069 0.462 . . . . 0.0 110.982 -177.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 72.8 mtm -59.21 -34.29 71.99 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.896 -178.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.471 ' HB ' ' CH2' ' A' ' 19' ' ' TRP . 4.2 mp -68.78 -25.11 29.69 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-O 121.155 0.502 . . . . 0.0 110.65 -177.638 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.91 -46.77 70.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.566 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -71.78 -30.46 65.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.738 178.153 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 49.9 tp -52.33 -47.56 65.95 Favored 'General case' 0 CA--C 1.518 -0.274 0 O-C-N 123.723 0.64 . . . . 0.0 110.308 176.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.528 ' HA ' ' HE1' ' A' ' 70' ' ' TRP . 4.4 tt -54.76 -49.5 70.7 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.847 -1.07 . . . . 0.0 110.308 177.021 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -63.12 -50.13 71.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.675 -174.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 12.0 pt-20 -92.39 25.01 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -172.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.462 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 2.5 t80 -84.91 107.8 12.9 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 174.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 65' ' ' PHE . 2.7 Cg_endo -81.3 3.08 8.1 Favored 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 123.266 2.644 . . . . 0.0 113.136 -173.343 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.446 ' HG3' HG21 ' A' ' 124' ' ' VAL . 15.1 mm100 -87.75 -60.15 2.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.873 -178.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -161.15 -164.85 1.23 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.951 -176.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -116.0 148.71 39.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.739 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.528 ' HE1' ' HA ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -155.12 162.3 41.03 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.691 -177.803 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -101.17 116.2 32.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.971 0.415 . . . . 0.0 110.784 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 90.3 t -91.35 133.73 32.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.902 0.382 . . . . 0.0 110.68 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -131.21 150.72 52.03 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.133 177.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.68 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 7.9 p -118.04 144.48 25.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.156 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.515 ' HB1' ' CD ' ' A' ' 79' ' ' GLN . . . -87.12 156.44 19.71 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.688 0.28 . . . . 0.0 111.569 -174.456 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -64.4 -92.84 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.229 -174.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.3 tp -152.2 -75.7 0.13 Allowed 'General case' 0 C--O 1.234 0.24 0 O-C-N 121.838 -0.539 . . . . 0.0 111.881 -177.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -61.57 -29.38 69.98 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 123.14 0.576 . . . . 0.0 111.582 -175.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.772 HE21 HD12 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -52.25 -27.95 16.85 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -177.427 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.8 t -50.9 -34.95 30.53 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 123.342 0.401 . . . . 0.0 111.287 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -63.21 -51.6 65.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.631 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.62 -42.69 34.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.846 -175.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.772 HD12 HE21 ' A' ' 79' ' ' GLN . 47.8 mt -59.1 -44.39 91.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.833 0.349 . . . . 0.0 111.0 -178.089 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.22 -35.95 92.62 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.401 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -78.75 -35.47 44.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.982 0.42 . . . . 0.0 110.678 -177.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -45.06 -52.57 8.86 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.463 -177.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -120.85 15.16 11.72 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.526 -0.469 . . . . 0.0 111.289 -177.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 63.27 80.72 0.22 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.821 -1.081 . . . . 0.0 112.564 172.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.3 t -103.51 10.16 8.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 170.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.8 ttp180 68.8 18.79 8.56 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 114.695 -1.139 . . . . 0.0 109.627 -174.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? 60.05 78.55 0.27 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.239 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.456 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 79.2 t80 -148.81 134.46 9.65 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.085 -175.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 92' ' ' PHE . 15.5 Cg_exo -68.28 115.98 4.13 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.819 2.346 . . . . 0.0 112.408 178.472 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -161.58 -177.81 6.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.087 178.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.5 m -110.3 117.49 33.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.556 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.841 HD13 ' HB2' ' A' ' 106' ' ' ALA . 1.0 OUTLIER -91.58 137.14 32.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.794 177.853 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.594 ' HA ' HG12 ' A' ' 38' ' ' VAL . 48.2 t -96.12 122.54 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 -176.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.461 ' CE1' HD13 ' A' ' 39' ' ' ILE . 90.5 m-85 -122.46 104.48 9.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.031 -178.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.49 ' O ' ' HB2' ' A' ' 100' ' ' ASP . 82.6 p -123.9 155.65 37.71 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 172.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.49 ' HB2' ' O ' ' A' ' 99' ' ' THR . 15.2 m-20 69.29 14.21 8.55 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 123.293 0.37 . . . . 0.0 110.464 -177.293 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 69.74 19.84 75.33 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 -172.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -134.29 147.75 50.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.837 0.351 . . . . 0.0 110.952 -175.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.444 HD11 HD12 ' A' ' 96' ' ' LEU . 54.5 tp -69.56 122.83 19.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.987 0.422 . . . . 0.0 110.372 177.246 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.535 ' HB3' HD12 ' A' ' 123' ' ' ILE . 35.9 mmt180 -103.99 -31.31 9.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.768 -177.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 170.21 -163.91 37.24 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.567 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.841 ' HB2' HD13 ' A' ' 96' ' ' LEU . . . -149.21 162.44 40.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.549 0.174 . . . . 0.0 110.754 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.517 HD13 HD12 ' A' ' 119' ' ' LEU . 4.4 mm? -85.39 94.24 8.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.948 0.404 . . . . 0.0 111.26 179.02 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.7 m -105.35 139.2 40.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.507 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 113.65 171.2 17.58 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.898 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 56.7 mt -124.22 89.85 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.159 0.504 . . . . 0.0 109.728 177.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.656 ' HB3' ' HB3' ' A' ' 114' ' ' ALA . 5.6 m80 -147.95 148.06 28.72 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.271 -178.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -83.01 90.44 1.02 Allowed 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.842 2.362 . . . . 0.0 111.707 176.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 4.5 t-105 74.77 -11.87 1.0 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.311 0.644 . . . . 0.0 111.08 176.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.656 ' HB3' ' HB3' ' A' ' 111' ' ' HIS . . . -73.74 -19.07 60.9 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -176.522 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.584 ' HG3' ' HB2' ' A' ' 111' ' ' HIS . 0.0 OUTLIER -87.29 -36.57 17.82 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.468 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.442 HD23 HD11 ' A' ' 107' ' ' LEU . 45.7 mt -57.66 -37.16 72.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.863 173.339 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.64 HD11 HG21 ' A' ' 132' ' ' THR . 0.3 OUTLIER -53.67 -57.22 11.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.831 -178.242 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.9 m -69.42 -39.03 78.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.28 -176.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.517 HD12 HD13 ' A' ' 107' ' ' LEU . 90.9 mt -66.05 -40.14 90.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.718 0.294 . . . . 0.0 110.729 -179.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 55.5 ttp -58.13 -43.01 87.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.35 176.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 -58.9 -45.32 90.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.348 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 39.3 m -74.63 -44.5 50.22 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -177.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.535 HD12 ' HB3' ' A' ' 104' ' ' ARG . 43.4 mm -81.38 -42.97 20.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -171.087 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.446 HG21 ' HG3' ' A' ' 67' ' ' GLN . 15.7 m -123.41 74.36 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 122.258 1.028 . . . . 0.0 111.016 -175.482 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -74.02 -5.25 40.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.338 -1.301 . . . . 0.0 110.955 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 22.6 p -59.5 128.95 86.71 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.013 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -82.95 149.31 13.79 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.85 2.367 . . . . 0.0 112.725 178.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -167.18 -70.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.149 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -157.42 123.15 4.68 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 176.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -137.57 110.01 7.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.38 0.61 . . . . 0.0 112.19 -172.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -139.18 99.02 3.65 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 170.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.64 HG21 HD11 ' A' ' 117' ' ' LEU . 4.2 m -90.8 99.94 12.88 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.277 -171.39 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 45.1 t -78.63 105.89 8.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.989 175.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 . . . . . 0 C--N 1.321 -0.657 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.686 -176.87 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 mmt . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.83 155.55 42.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.317 176.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -175.85 -35.63 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 177.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -116.34 -164.64 0.98 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 173.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.0 t -66.44 132.2 94.26 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 118.0 0.364 . . . . 0.0 110.454 -177.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.85 167.5 19.4 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.128 2.552 . . . . 0.0 113.14 -177.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -103.86 29.48 5.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.442 -177.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.3 m -62.87 -16.93 60.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.659 -0.701 . . . . 0.0 112.183 -175.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.94 -29.11 69.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.964 0.412 . . . . 0.0 111.45 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.5 mt -67.6 -28.33 67.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -177.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 23.4 t-105 -66.93 -28.23 68.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.631 -176.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -55.9 -40.97 73.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.251 0.548 . . . . 0.0 110.765 177.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -66.19 -39.04 89.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.145 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 70.5 mt -69.28 -43.25 74.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.766 -178.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.3 mt -59.82 -33.02 71.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.835 177.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.0 m -70.12 -27.21 64.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.897 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.592 ' NE ' ' HA ' ' A' ' 17' ' ' ARG . 1.8 mmp_? -93.85 -1.14 55.28 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.96 13.53 46.01 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.725 -0.75 . . . . 0.0 113.595 173.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.479 ' CZ3' HG11 ' A' ' 74' ' ' VAL . 14.0 m0 -73.15 123.27 23.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 117.016 0.408 . . . . 0.0 110.68 178.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.461 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 64.3 tt0 -110.26 131.27 22.11 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.661 -177.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.579 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 3.5 Cg_exo -77.47 131.32 11.47 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.994 2.463 . . . . 0.0 111.95 176.311 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.407 HG21 HG13 ' A' ' 39' ' ' ILE . 10.6 m -121.89 -179.21 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.139 0.495 . . . . 0.0 112.119 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -142.81 175.96 9.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.409 -177.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.644 ' HB2' ' HA ' ' A' ' 83' ' ' ILE . . . -83.94 -21.37 31.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.07 178.193 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 m -79.8 -42.48 24.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.162 0.506 . . . . 0.0 111.022 -177.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.2 t -96.63 5.1 51.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.57 -175.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 24' ' ' ALA . 14.6 p -63.09 -40.06 87.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 120.627 0.251 . . . . 0.0 110.787 -176.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -60.59 -41.83 95.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.286 0.565 . . . . 0.0 110.599 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.533 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 28.0 t70 -77.49 -39.61 45.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.094 -175.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.486 ' O ' HG22 ' A' ' 34' ' ' VAL . 68.5 t90 -64.45 -48.25 76.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.169 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.423 HD11 ' CD1' ' A' ' 39' ' ' ILE . 30.8 mm -60.16 -47.06 93.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.931 -177.145 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.533 ' HE3' ' HA ' ' A' ' 29' ' ' ASP . 20.6 pttp -67.98 -33.13 74.04 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.308 -176.097 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.8 ttm-85 -72.96 -47.41 45.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.381 . . . . 0.0 110.956 -177.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 30' ' ' TRP . 23.6 m -81.03 -34.33 13.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.24 -177.541 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.12 -52.71 4.75 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.025 177.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -123.06 120.29 32.87 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.906 0.384 . . . . 0.0 110.004 -177.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.74 173.68 46.26 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 121.132 -0.556 . . . . 0.0 111.877 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' ' 97' ' ' VAL . 18.1 m -132.91 141.05 45.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 O-C-N 122.728 -0.278 . . . . 0.0 110.867 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.49 HD13 ' CE1' ' A' ' 98' ' ' PHE . 2.2 mp -107.8 114.68 47.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.405 ' HG ' ' OG1' ' A' ' 95' ' ' THR . 0.9 OUTLIER -96.29 118.78 33.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.484 177.843 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.0 mp -79.96 119.12 22.38 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 175.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.2 m 69.31 -172.2 0.18 Allowed 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.732 0.645 . . . . 0.0 111.104 -175.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.8 p -95.29 -66.91 0.88 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.919 0.39 . . . . 0.0 110.574 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -140.95 137.6 17.21 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.07 176.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.12 153.97 75.88 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.931 2.42 . . . . 0.0 112.27 -179.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.0 ptt85 -74.88 67.8 1.69 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.42 0.629 . . . . 0.0 112.115 -176.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -88.65 -49.31 6.95 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 168.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.5 m -129.46 91.09 42.25 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.039 -0.982 . . . . 0.0 108.853 168.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -77.67 15.91 1.18 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 123.09 2.527 . . . . 0.0 113.405 -173.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.411 ' O ' ' HB ' ' A' ' 51' ' ' VAL . 40.4 mt-10 -102.37 116.2 32.14 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.911 178.583 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.411 ' HB ' ' O ' ' A' ' 50' ' ' GLU . 92.5 t 74.54 -69.7 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.085 -175.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.8 t 177.41 135.41 0.07 Allowed 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -80.81 -17.92 49.22 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 70.49 128.45 0.03 OUTLIER Pre-proline 0 N--CA 1.467 0.399 0 CA-C-N 114.636 -1.165 . . . . 0.0 111.729 175.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.462 ' HG3' ' HH2' ' A' ' 19' ' ' TRP . 19.7 Cg_endo -59.16 -31.89 96.2 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.717 2.278 . . . . 0.0 112.311 178.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.5 t 63.54 -74.17 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 C-N-CA 123.543 0.737 . . . . 0.0 112.645 177.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.469 ' SD ' HD11 ' A' ' 107' ' ' LEU . 46.2 ttm -63.85 -43.97 94.54 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -170.161 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.423 ' H ' HD12 ' A' ' 58' ' ' ILE . 4.4 mp -56.19 -49.69 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-O 120.654 0.264 . . . . 0.0 111.376 -177.456 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.38 -42.86 95.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.23 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -69.06 -43.11 75.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.891 -177.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.412 HD13 HD13 ' A' ' 116' ' ' LEU . 16.5 tp -64.1 -40.62 96.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.048 -177.314 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 68.5 tp -48.43 -39.04 21.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.811 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.414 ' H ' ' HG3' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -106.37 20.77 18.48 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.602 -176.124 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -128.57 -19.71 3.72 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.4 112.51 15.1 Favored Pre-proline 0 N--CA 1.464 0.247 0 CA-C-O 120.794 0.33 . . . . 0.0 111.504 -176.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -96.34 13.51 1.06 Allowed 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 123.447 2.765 . . . . 0.0 112.849 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.411 HE22 HG21 ' A' ' 126' ' ' THR . 1.8 mm-40 -92.21 -58.86 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.175 -177.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -155.49 169.37 24.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.955 -175.267 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -99.41 118.96 37.19 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 177.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -120.09 157.09 29.69 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.929 0.395 . . . . 0.0 110.69 177.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -91.6 129.08 37.64 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.478 -178.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 91.9 t -88.87 116.55 30.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.23 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -123.59 133.71 53.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.441 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.579 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 10.4 m -129.49 156.49 41.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 -178.503 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.459 ' HB1' ' HB3' ' A' ' 79' ' ' GLN . . . -120.6 153.87 36.21 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -173.341 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -66.25 162.63 19.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.834 174.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.9 tt -56.25 -40.28 73.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.973 0.416 . . . . 0.0 110.48 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -68.68 -43.6 75.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.794 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.459 ' HB3' ' HB1' ' A' ' 75' ' ' ALA . 1.6 mp0 -62.95 -30.19 71.38 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.264 178.096 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.7 m -55.47 -48.28 74.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.348 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -72.13 -33.56 67.89 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.325 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.47 -44.77 93.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.556 177.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.644 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . 67.8 mt -68.02 -40.77 83.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.246 177.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.17 -39.53 96.02 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.654 175.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -60.49 -39.6 88.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.151 0.5 . . . . 0.0 111.283 177.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.519 ' HB2' ' HB1' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -50.09 -46.37 53.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.585 179.344 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.516 ' CD1' ' HB ' ' A' ' 89' ' ' VAL . 7.6 p90 -109.98 14.0 23.19 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.5 t30 63.25 30.8 15.76 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 122.877 0.471 . . . . 0.0 111.544 172.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.516 ' HB ' ' CD1' ' A' ' 87' ' ' PHE . 98.4 t -134.59 115.9 20.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 122.091 -0.381 . . . . 0.0 110.802 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.9 ttp180 -117.43 29.92 7.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.511 0.672 . . . . 0.0 109.347 177.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -80.09 89.89 5.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.945 -178.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 71.35 155.3 0.15 Allowed Pre-proline 0 N--CA 1.468 0.467 0 O-C-N 123.884 0.74 . . . . 0.0 112.101 176.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -77.73 102.0 1.54 Allowed 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.571 2.181 . . . . 0.0 110.714 171.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -119.43 174.77 6.18 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.271 -175.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.405 ' OG1' ' HG ' ' A' ' 40' ' ' LEU . 12.6 m -117.5 117.06 28.42 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.4 mp -91.93 135.05 34.24 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.079 -178.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.548 ' HA ' HG12 ' A' ' 38' ' ' VAL . 48.9 t -96.79 118.31 42.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.068 -176.397 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.495 ' CE2' HD13 ' A' ' 103' ' ' LEU . 37.9 m-85 -116.23 118.0 31.59 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.56 178.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.403 ' O ' ' HB3' ' A' ' 100' ' ' ASP . 1.1 p -139.66 151.72 46.17 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.535 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 99' ' ' THR . 27.3 t70 72.23 3.7 4.77 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.851 0.834 . . . . 0.0 110.378 -177.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.29 0.83 79.57 Favored Glycine 0 N--CA 1.443 -0.887 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.969 -173.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -120.29 159.97 23.93 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 121.248 0.547 . . . . 0.0 111.704 178.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.495 HD13 ' CE2' ' A' ' 98' ' ' PHE . 52.6 tp -82.01 127.71 33.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.26 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.592 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 1.2 mmp_? -91.35 -41.46 10.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.56 179.005 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 161.0 -172.61 37.31 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.152 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -103.87 137.72 41.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.909 0.385 . . . . 0.0 110.84 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.469 HD11 ' SD ' ' A' ' 57' ' ' MET . 1.3 tm? -92.0 115.19 27.85 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 25.0 m -152.85 163.45 39.73 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.809 ' HA3' ' HG3' ' A' ' 115' ' ' GLU . . . -179.57 175.73 47.14 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.011 179.12 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 40.7 pt -101.64 -8.37 9.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.191 0.519 . . . . 0.0 110.74 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -110.97 143.02 27.43 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.826 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.19 -32.93 97.97 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.71 2.274 . . . . 0.0 112.196 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 16.2 t-105 -161.57 107.0 1.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.286 177.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 179.9 -34.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.279 0.561 . . . . 0.0 110.069 178.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.809 ' HG3' ' HA3' ' A' ' 109' ' ' GLY . 1.5 mm-40 -59.87 -30.67 69.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.247 -173.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.412 HD13 HD13 ' A' ' 61' ' ' LEU . 73.2 mt -57.4 -35.52 70.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.371 -176.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.23 -36.05 76.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.74 0.305 . . . . 0.0 111.49 -173.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.3 m -87.3 -40.97 14.02 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.791 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.557 ' O ' HG12 ' A' ' 123' ' ' ILE . 95.6 mt -67.62 -49.52 62.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 112.014 -175.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 62.8 mtm -58.35 -35.49 72.01 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 111.449 0.166 . . . . 0.0 111.449 -174.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -56.1 -53.9 51.5 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.902 0.382 . . . . 0.0 111.705 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.3 t -70.62 -30.34 66.97 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.117 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.557 HG12 ' O ' ' A' ' 119' ' ' LEU . 39.6 mm -70.04 -48.87 60.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.475 -178.227 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.552 HG13 HG22 ' A' ' 123' ' ' ILE . 5.3 m -133.11 75.66 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.392 0.615 . . . . 0.0 111.551 -177.012 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.0 -45.39 90.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.501 175.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.411 HG21 HE22 ' A' ' 67' ' ' GLN . 3.8 m 59.77 97.62 0.04 OUTLIER Pre-proline 0 C--O 1.235 0.334 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.552 173.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -65.29 134.85 40.65 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.505 2.137 . . . . 0.0 111.532 176.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 66.93 25.13 9.48 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.888 -0.597 . . . . 0.0 112.062 177.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.4 155.39 31.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.283 176.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -80.51 132.89 35.75 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 178.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.33 142.8 27.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.071 0.462 . . . . 0.0 111.373 -178.081 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 34.3 m -155.44 91.36 1.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.735 177.345 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 16.1 m -131.54 132.78 62.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.109 0.48 . . . . 0.0 111.513 -177.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.833 175.015 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.1 mt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.659 0.266 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -60.64 -38.98 86.61 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.949 -177.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -68.31 -41.73 80.45 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.201 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -74.67 -31.31 61.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.46 -176.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.467 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.6 pp -74.71 -30.68 61.62 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.267 0.556 . . . . 0.0 110.073 177.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.467 ' N ' HD12 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -60.21 -25.71 65.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.992 -1.003 . . . . 0.0 110.391 175.692 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.3 m -64.08 -26.31 68.49 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.023 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -142.15 102.26 4.08 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.126 0.788 . . . . 0.0 113.126 -175.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.14 -37.81 3.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.96 -0.638 . . . . 0.0 113.586 168.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -92.29 140.63 29.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.018 0.437 . . . . 0.0 111.491 -176.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.465 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 35.9 tt0 -151.69 127.9 5.17 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.615 176.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.626 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 3.0 Cg_exo -74.64 116.74 4.7 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.568 2.179 . . . . 0.0 111.497 178.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.482 ' CG1' ' HB1' ' A' ' 73' ' ' ALA . 16.6 m -109.37 -170.39 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.742 -176.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.509 ' HB2' HG22 ' A' ' 26' ' ' THR . 32.0 mt-10 -141.92 -170.44 3.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.148 -171.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.455 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -106.29 -50.59 3.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.586 0.232 . . . . 0.0 111.605 -177.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.5 m -72.09 1.21 7.8 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -175.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.509 HG22 ' HB2' ' A' ' 23' ' ' GLU . 9.7 t -137.08 13.58 3.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.814 0.34 . . . . 0.0 110.884 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 24' ' ' ALA . 10.8 p -73.14 -35.13 46.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.598 -177.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.25 -48.8 67.93 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.178 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -68.61 -35.0 76.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -177.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.444 ' O ' HG22 ' A' ' 34' ' ' VAL . 81.8 t90 -62.09 -49.43 75.98 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.043 0.449 . . . . 0.0 110.084 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 48.6 mt -61.78 -43.28 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.344 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 tmmm? -62.45 -38.45 89.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.724 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -68.14 -46.27 71.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.006 -173.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 30' ' ' TRP . 33.9 m -93.29 -42.28 13.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.56 -175.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.79 6.38 67.02 Favored Glycine 0 CA--C 1.516 0.11 0 CA-C-N 116.295 -0.411 . . . . 0.0 113.137 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.414 ' H ' HG23 ' A' ' 34' ' ' VAL . 24.4 t70 -160.75 104.33 1.37 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -175.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.546 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . 167.79 -174.63 42.79 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.611 -178.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.581 HG12 ' HA ' ' A' ' 97' ' ' VAL . 27.1 m -135.18 148.75 28.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.507 0.194 . . . . 0.0 110.926 -177.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 mp -109.16 120.46 60.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 172.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 tt -95.44 118.71 32.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.762 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.557 HD13 HD23 ' A' ' 96' ' ' LEU . 10.5 mp -81.52 139.73 34.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.264 178.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.432 ' HB2' ' HB2' ' A' ' 80' ' ' SER . 5.1 m . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.008 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.1 t . . . . . 0 N--CA 1.455 -0.215 0 CA-C-O 120.864 0.364 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.8 mtt -56.62 -37.26 70.47 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.479 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.6 mp -65.86 -41.31 89.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-O 121.062 0.458 . . . . 0.0 109.932 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.496 ' O ' ' HD3' ' A' ' 63' ' ' ARG . . . -65.66 -36.16 82.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.209 177.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.587 ' HA ' ' NH1' ' A' ' 63' ' ' ARG . 8.3 tp10 -62.06 -54.26 43.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.671 176.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -53.73 -44.41 69.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.588 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.508 HD13 HG23 ' A' ' 72' ' ' VAL . 55.3 tp -47.94 -47.86 32.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.063 -178.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.587 ' NH1' ' HA ' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -83.53 -26.3 30.26 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -177.586 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.416 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 6.0 mm-40 -81.98 1.85 33.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.807 0.336 . . . . 0.0 111.326 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -97.77 105.57 27.86 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.253 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 96.5 Cg_endo -90.43 -0.34 5.3 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 122.961 2.441 . . . . 0.0 113.286 -176.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.1 -68.92 0.45 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -177.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.632 ' HD1' ' H ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -137.51 163.44 31.13 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.09 -177.288 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -102.26 80.17 1.93 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.537 -174.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.546 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -89.29 167.01 13.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.046 179.72 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -115.75 143.63 45.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.599 -175.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.508 HG23 HD13 ' A' ' 62' ' ' LEU . 64.6 t -103.06 101.73 12.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.333 0.587 . . . . 0.0 111.166 -176.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.482 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -96.17 126.19 41.21 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.449 176.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.626 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 29.5 m -118.89 148.88 21.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-O 120.846 0.355 . . . . 0.0 111.085 -174.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.583 ' HB1' ' HB2' ' A' ' 79' ' ' GLN . . . -95.76 139.24 32.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.077 176.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.429 ' OD1' HD22 ' A' ' 77' ' ' LEU . 5.7 t70 -61.97 -71.67 0.15 Allowed 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.433 0.458 . . . . 0.0 110.829 -175.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.546 ' HG ' ' N ' ' A' ' 78' ' ' GLU . 2.3 pt? -154.52 -65.31 0.13 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.726 174.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.546 ' N ' ' HG ' ' A' ' 77' ' ' LEU . 40.1 tt0 -65.36 -32.5 74.17 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.062 0.458 . . . . 0.0 110.927 -177.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.583 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . 8.6 mm100 -54.83 -30.0 56.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.381 -177.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.432 ' HB2' ' HB2' ' A' ' 42' ' ' SER . 17.7 t -56.23 -40.55 74.27 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.567 -176.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.828 ' HA ' ' HD3' ' A' ' 90' ' ' ARG . 35.6 tt0 -63.2 -47.46 82.49 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.726 -176.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.45 -43.64 85.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.954 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 67.8 mt -65.4 -49.1 80.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.544 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.562 ' HA3' ' HB2' ' A' ' 90' ' ' ARG . . . -65.59 -32.09 82.13 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.834 -178.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -71.15 -39.68 71.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.197 0.523 . . . . 0.0 110.198 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -49.51 -40.13 36.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.702 -1.135 . . . . 0.0 112.619 -175.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.446 ' HD1' HG23 ' A' ' 89' ' ' VAL . 2.0 p90 -123.14 14.82 9.82 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 59.5 t30 56.75 73.77 0.44 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.562 -0.744 . . . . 0.0 112.072 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.662 HG21 HD11 ' A' ' 96' ' ' LEU . 79.5 t -136.76 -17.31 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.274 176.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.828 ' HD3' ' HA ' ' A' ' 81' ' ' GLU . 53.1 ttp85 -63.71 117.98 7.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.121 0.486 . . . . 0.0 111.019 -175.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -178.0 -35.45 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -150.94 152.14 31.13 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 114.815 -1.084 . . . . 0.0 108.962 176.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -58.63 114.77 2.13 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.652 2.235 . . . . 0.0 111.947 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.81 163.8 32.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.3 m -118.79 124.08 46.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.038 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.743 HD13 ' HB2' ' A' ' 106' ' ' ALA . 1.9 mm? -89.58 133.77 34.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.697 0.284 . . . . 0.0 110.31 -176.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.581 ' HA ' HG12 ' A' ' 38' ' ' VAL . 42.1 t -98.58 114.84 37.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.676 -175.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -108.56 101.25 10.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.242 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.403 HG23 HG12 ' A' ' 97' ' ' VAL . 24.7 p -112.66 138.15 49.88 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.968 -178.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.7 t70 70.88 12.49 7.11 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.676 0.61 . . . . 0.0 110.279 -178.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.07 5.26 86.06 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.969 -174.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -122.35 147.02 46.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.159 0.504 . . . . 0.0 111.609 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.41 HD11 HD12 ' A' ' 96' ' ' LEU . 55.8 tp -77.28 123.28 26.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.835 176.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.6 ' HA ' ' NE ' ' A' ' 104' ' ' ARG . 4.1 mmp_? -119.88 -40.89 2.7 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -178.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -150.51 -171.21 18.55 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.062 -1.066 . . . . 0.0 112.605 -177.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.743 ' HB2' HD13 ' A' ' 96' ' ' LEU . . . -154.08 147.4 24.88 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.811 0.338 . . . . 0.0 110.564 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -98.98 120.32 39.23 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.72 ' HB2' HD13 ' A' ' 110' ' ' ILE . 10.5 p -91.12 -39.94 11.87 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -173.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 82.22 36.91 16.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.112 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.72 HD13 ' HB2' ' A' ' 108' ' ' SER . 1.7 mp -93.17 -39.75 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -116.18 101.18 53.92 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 177.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -44.1 109.3 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 124.118 3.212 . . . . 0.0 114.07 -172.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.756 ' HA ' HD12 ' A' ' 116' ' ' LEU . 6.3 t-105 72.0 -37.76 0.4 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 114.691 -1.141 . . . . 0.0 112.924 173.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.13 -36.23 67.99 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.796 0.331 . . . . 0.0 111.83 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -77.9 -18.07 56.57 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.86 -177.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.756 HD12 ' HA ' ' A' ' 113' ' ' TRP . 24.7 mt -63.72 -37.26 86.7 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 175.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.512 ' O ' ' HB2' ' A' ' 121' ' ' ARG . 79.7 mt -71.7 -41.92 68.02 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.157 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.0 m -81.98 -44.09 17.16 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -175.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 86.3 mt -73.42 -48.93 29.88 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 122.381 -0.2 . . . . 0.0 111.514 -175.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 25.8 mmt -64.49 -31.25 72.39 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.185 -0.206 . . . . 0.0 111.02 -177.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.512 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 2.9 tmt_? -58.97 -35.89 73.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.355 0.598 . . . . 0.0 109.97 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 26.3 t -76.31 -30.63 57.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 62.8 mt -83.29 -46.3 18.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.133 0.492 . . . . 0.0 110.81 -176.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.1 m -125.98 87.4 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-O 121.991 0.9 . . . . 0.0 109.332 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.1 t70 . . . . . 0 C--N 1.322 -0.623 0 CA-C-N 113.966 -1.47 . . . . 0.0 111.991 177.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.4 mt . . . . . 0 CA--C 1.528 0.1 0 CA-C-O 120.649 0.261 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.524 ' HZ3' HD11 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -64.99 -32.58 74.38 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-O 121.171 0.51 . . . . 0.0 109.961 -179.583 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -78.08 -38.89 43.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.045 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -73.89 -28.63 61.65 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -176.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.42 HD21 ' HA ' ' A' ' 11' ' ' TRP . 4.4 pp -69.79 -26.91 64.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.379 0.609 . . . . 0.0 110.04 176.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.524 HD11 ' HZ3' ' A' ' 11' ' ' TRP . 86.2 mt -74.25 -27.59 60.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.995 175.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 43.6 m -56.45 -43.01 79.1 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.394 -176.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -163.47 106.97 1.01 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.816 178.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.16 -64.77 0.58 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.508 -0.853 . . . . 0.0 113.069 175.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -91.58 167.36 12.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.218 0.532 . . . . 0.0 111.076 -173.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.407 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 26.8 tt0 -156.85 135.79 7.89 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.299 176.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.75 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 11.8 Cg_exo -72.65 124.74 10.0 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.342 2.028 . . . . 0.0 111.264 176.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.514 HG13 ' HB1' ' A' ' 73' ' ' ALA . 14.6 m -93.42 -177.38 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.36 -178.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.577 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -141.93 -170.02 3.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.094 -175.349 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.434 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -107.72 -36.0 6.53 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.179 0.514 . . . . 0.0 110.19 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.9 m -69.41 -28.45 66.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.885 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.8 t -120.48 15.92 12.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.519 -175.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.577 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 13.9 p -69.38 -35.57 67.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-O 120.904 0.383 . . . . 0.0 110.406 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -65.66 -47.24 76.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.676 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -60.17 -41.88 93.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.544 178.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.464 ' O ' HG22 ' A' ' 34' ' ' VAL . 33.4 t90 -63.9 -49.51 72.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.645 -178.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.496 HD11 ' CD1' ' A' ' 39' ' ' ILE . 29.6 mm -63.47 -39.69 86.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.91 0.386 . . . . 0.0 110.951 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.417 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -63.26 -32.82 74.32 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.667 177.173 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.22 -45.78 17.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.201 -176.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 30' ' ' TRP . 34.5 m -85.1 -41.43 15.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -175.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.15 -45.25 2.76 Favored Glycine 0 C--N 1.329 0.186 0 C-N-CA 121.443 -0.408 . . . . 0.0 112.641 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -122.99 104.41 9.21 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.764 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . -166.81 -165.69 24.64 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.805 -177.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 96' ' ' LEU . 2.4 p -155.14 139.89 9.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.225 0.536 . . . . 0.0 111.503 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.496 ' CD1' HD11 ' A' ' 31' ' ' ILE . 1.9 mp -109.01 115.8 50.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.757 177.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.542 ' HB3' HG23 ' A' ' 74' ' ' VAL . 2.7 tt -79.12 108.24 12.47 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 174.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.591 ' HB3' ' H ' ' A' ' 94' ' ' ALA . 9.7 tp -72.23 128.71 36.52 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.7 -177.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.591 ' HB2' ' HB3' ' A' ' 93' ' ' PRO . 21.6 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.914 -177.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.461 0.124 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 95.4 mmm -53.17 -34.62 57.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.133 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 58' ' ' ILE . 2.9 mp -71.94 -32.78 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.93 0.395 . . . . 0.0 110.292 -179.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.52 -32.18 70.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.074 0.464 . . . . 0.0 110.19 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.59 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.9 tp10 -71.17 -43.68 67.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.343 174.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.0 tp -53.7 -41.91 67.46 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.891 177.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 63.8 tp -48.58 -47.43 39.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.951 -1.022 . . . . 0.0 112.322 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.59 ' HD3' ' OE1' ' A' ' 60' ' ' GLU . 0.8 OUTLIER -82.56 -25.84 32.95 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.212 -178.112 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.44 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 6.7 mm-40 -79.11 -10.56 59.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.443 ' HD1' ' HB2' ' A' ' 67' ' ' GLN . 0.1 OUTLIER -106.87 97.12 16.39 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.028 -178.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 96.8 Cg_endo -89.19 9.49 3.52 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.812 2.342 . . . . 0.0 111.726 178.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.443 ' HB2' ' HD1' ' A' ' 65' ' ' PHE . 14.4 mm100 -89.27 -22.3 22.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.088 -174.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -134.25 159.78 39.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.259 0.552 . . . . 0.0 112.174 -173.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.65 22.96 13.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.991 -1.004 . . . . 0.0 108.366 171.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.764 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -54.57 154.63 4.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.07 -1.423 . . . . 0.0 114.007 -172.49 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.404 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 1.9 mp0 -92.18 119.79 32.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.668 173.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 45.3 t -84.99 129.52 37.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.015 0.436 . . . . 0.0 110.899 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.514 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -134.46 159.4 41.22 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.673 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.75 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 7.2 p -136.04 150.09 27.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 -179.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.34 169.57 16.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.99 0.424 . . . . 0.0 111.535 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -82.72 23.25 0.82 Allowed 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.49 0.662 . . . . 0.0 110.592 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 54.9 tp 76.74 -60.1 0.48 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.393 1.077 . . . . 0.0 111.439 176.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -77.64 -45.73 24.16 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.956 0.408 . . . . 0.0 110.34 -176.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.551 ' HG2' ' HG2' ' A' ' 23' ' ' GLU . 4.1 tp-100 -54.67 -24.68 22.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.985 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.562 ' OG ' ' HG ' ' A' ' 41' ' ' LEU . 43.3 t -51.1 -36.81 42.25 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.96 178.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -62.35 -43.36 99.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.69 0.281 . . . . 0.0 110.745 -177.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.03 -33.0 74.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.847 177.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.412 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 65.7 mt -68.44 -49.55 64.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.345 177.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.54 ' HA2' ' CE1' ' A' ' 87' ' ' PHE . . . -63.87 -29.95 76.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.049 178.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -68.11 -38.88 82.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.166 0.508 . . . . 0.0 110.73 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.459 ' HA ' ' HE ' ' A' ' 86' ' ' ARG . 2.9 tpm_? -49.7 -48.47 49.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.876 -179.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.54 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 2.6 p90 -107.05 -0.85 22.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.623 0.249 . . . . 0.0 111.212 -178.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 50.28 69.21 0.65 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.591 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 91.6 t -130.55 94.87 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.316 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.2 mmm-85 59.94 -163.87 0.23 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.154 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 68.1 ttt180 -150.97 30.95 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.587 0.708 . . . . 0.0 109.398 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -128.58 154.21 79.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.508 -176.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.591 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 15.4 Cg_endo -57.94 119.79 7.27 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.923 2.416 . . . . 0.0 112.6 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.591 ' H ' ' HB3' ' A' ' 41' ' ' LEU . . . -145.3 172.45 13.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.981 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 35.0 m -114.04 115.62 27.88 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.515 ' O ' HG23 ' A' ' 38' ' ' VAL . 5.3 mp -105.49 127.22 52.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.87 0.367 . . . . 0.0 110.558 -178.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 81.7 t -89.75 116.87 31.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.928 -178.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.427 ' CZ ' HD13 ' A' ' 103' ' ' LEU . 45.3 m-85 -112.61 94.88 5.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.835 178.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 40.5 p -131.7 151.17 51.84 Favored 'General case' 0 C--N 1.311 -1.071 0 C-N-CA 120.881 -0.327 . . . . 0.0 110.215 -176.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.1 t70 69.7 9.4 7.17 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.776 0.673 . . . . 0.0 110.457 -177.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.77 1.8 84.9 Favored Glycine 0 N--CA 1.443 -0.847 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.454 -174.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -115.42 148.13 39.73 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 117.094 0.447 . . . . 0.0 111.809 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.445 HD11 ' HB3' ' A' ' 96' ' ' LEU . 43.1 tp -77.26 102.01 6.5 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 169.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.445 HH11 ' HD3' ' A' ' 104' ' ' ARG . 10.6 mmm180 -74.53 -28.31 60.91 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.929 -174.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 153.08 177.71 26.92 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.392 -0.909 . . . . 0.0 112.547 178.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.472 ' HB2' ' HG ' ' A' ' 96' ' ' LEU . . . -117.86 138.55 52.03 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.831 0.348 . . . . 0.0 110.433 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -104.31 129.51 52.17 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.102 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.4 p -95.86 3.98 53.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.174 0.511 . . . . 0.0 111.527 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -80.44 71.4 2.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.874 177.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 15.3 tt -71.32 -26.93 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -175.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.69 ' HB3' ' HD3' ' A' ' 112' ' ' PRO . 7.0 t-160 -145.01 -54.06 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.487 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.379 -177.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.69 ' HD3' ' HB3' ' A' ' 111' ' ' HIS . 17.0 Cg_exo -67.96 127.0 15.34 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 122.055 1.836 . . . . 0.0 111.648 177.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -98.67 95.28 7.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.036 0.446 . . . . 0.0 110.391 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -147.88 -56.66 0.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.619 176.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -67.35 -25.98 66.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.078 -175.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 20.1 mt -54.33 -36.56 63.9 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.97 -178.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 117' ' ' LEU . 1.4 tm? -66.91 -49.22 66.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.938 0.399 . . . . 0.0 110.095 -177.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 24.6 m -71.29 -41.83 69.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.234 -177.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.63 -40.49 88.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.936 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 43.6 ttm -56.06 -41.46 75.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.624 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 21.2 ttm-85 -54.99 -51.21 66.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.158 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.3 m -75.41 -45.53 38.34 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.332 -177.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 74.6 mt -68.26 -49.25 68.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -173.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 19.6 m -115.44 45.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.516 0.674 . . . . 0.0 110.869 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.1 t70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.487 173.103 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.429 ' HA ' HD22 ' A' ' 10' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.212 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -54.75 -40.39 69.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.009 175.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -69.4 -34.12 74.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.738 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -64.12 -28.23 69.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.077 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.8 mt -64.07 -37.02 85.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.432 177.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mp -64.87 -24.23 67.47 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.538 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.9 m -64.69 -25.84 68.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.253 0.549 . . . . 0.0 110.279 175.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.477 ' NE ' ' HA ' ' A' ' 17' ' ' ARG . 6.9 mmp_? -106.89 -133.95 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.605 178.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.13 -124.83 1.9 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.74 175.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.5 m95 64.21 112.3 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.735 0.779 . . . . 0.0 111.617 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.95 106.98 59.73 Favored Pre-proline 0 C--N 1.317 -0.839 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.932 -178.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.644 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 31.1 Cg_exo -61.82 109.72 0.84 Allowed 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 122.868 2.379 . . . . 0.0 111.844 174.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.7 m -98.75 -173.66 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.88 -174.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -144.03 168.33 20.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.581 -173.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.85 -23.9 31.12 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 168.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.3 m -71.69 -23.89 61.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.155 -0.929 . . . . 0.0 111.064 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.9 p -127.07 16.1 7.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.647 -177.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.9 p -64.3 -40.38 88.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.669 0.271 . . . . 0.0 110.929 -176.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -69.66 -30.1 67.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.241 0.543 . . . . 0.0 110.186 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -78.51 -44.26 24.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.931 -177.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.441 ' CZ2' ' HB2' ' A' ' 73' ' ' ALA . 68.0 t90 -59.87 -51.42 69.8 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.772 -178.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.9 mt -57.62 -39.69 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 121.132 0.491 . . . . 0.0 110.593 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.476 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -64.29 -35.41 80.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.457 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -80.21 -45.44 18.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.804 0.335 . . . . 0.0 110.929 -176.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.417 ' HB ' ' NE2' ' A' ' 71' ' ' GLN . 33.6 m -76.03 -41.71 38.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.311 -174.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.32 -50.65 4.36 Favored Glycine 0 N--CA 1.451 -0.31 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 -177.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -127.01 142.0 51.65 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.476 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . 160.52 -163.04 33.81 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.419 178.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 96' ' ' LEU . 1.8 p -154.2 137.48 7.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.977 0.417 . . . . 0.0 111.779 -176.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.527 HD13 ' CE1' ' A' ' 98' ' ' PHE . 2.3 mp -103.47 120.31 53.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.676 176.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.462 HD22 ' O ' ' A' ' 42' ' ' SER . 0.5 OUTLIER -89.77 116.16 27.66 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.692 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.452 HD12 HG22 ' A' ' 39' ' ' ILE . 10.4 mp -80.63 100.5 8.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.575 0.226 . . . . 0.0 110.891 179.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.462 ' O ' HD22 ' A' ' 40' ' ' LEU . 58.3 m . . . . . 0 N--CA 1.467 0.406 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.565 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.428 ' O ' ' HB3' ' A' ' 57' ' ' MET . 29.5 m . . . . . 0 C--O 1.234 0.251 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.428 ' HB3' ' O ' ' A' ' 56' ' ' VAL . 46.2 ttm 74.82 -48.39 0.64 Allowed 'General case' 0 N--CA 1.471 0.602 0 O-C-N 123.83 0.706 . . . . 0.0 111.734 177.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.416 HD13 HD11 ' A' ' 40' ' ' LEU . 53.6 mt -58.53 -49.4 82.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.6 -178.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 63' ' ' ARG . . . -64.69 -47.03 79.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.076 -177.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -57.87 -49.33 77.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.221 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.9 tp -52.96 -51.22 62.19 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.713 0.768 . . . . 0.0 111.046 178.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.528 ' HG ' ' NE1' ' A' ' 70' ' ' TRP . 9.8 mp -71.12 -15.08 62.49 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.598 -1.183 . . . . 0.0 112.361 -174.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 59' ' ' ALA . 23.9 mtp180 -87.31 -43.48 12.13 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.791 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -92.56 13.2 20.53 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.347 -177.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.461 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 1.3 t80 -81.79 103.8 2.52 Favored Pre-proline 0 C--N 1.33 -0.257 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 172.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 65' ' ' PHE . 2.5 Cg_endo -80.77 -5.11 13.08 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.975 2.45 . . . . 0.0 113.214 -170.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.93 -27.13 16.54 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.394 -174.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.589 ' HZ ' HG11 ' A' ' 124' ' ' VAL . 90.7 m-85 -134.95 145.1 47.84 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -173.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -117.37 65.7 0.73 Allowed 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 164.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.528 ' NE1' ' HG ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -79.25 162.94 25.35 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.545 -172.557 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.417 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 39.0 mt-30 -90.05 122.98 33.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.313 -176.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.5 HG22 HD23 ' A' ' 62' ' ' LEU . 14.3 t -91.7 124.94 44.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.264 -173.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.441 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . . . -116.22 148.58 40.28 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.277 177.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.644 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 8.5 p -139.35 142.66 32.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.78 0.324 . . . . 0.0 110.517 -178.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.518 ' HB1' ' HB2' ' A' ' 79' ' ' GLN . . . -108.67 153.4 23.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.266 177.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.07 -96.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.0 mt -133.71 -52.43 0.86 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.178 -0.327 . . . . 0.0 110.806 -177.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -76.61 -32.91 58.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.023 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.518 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . 84.0 mm-40 -63.52 -39.42 94.38 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 112.179 -175.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.439 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . 31.9 p -54.72 -51.53 65.32 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -175.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -67.95 -33.43 74.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.729 0.3 . . . . 0.0 110.778 -177.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.76 -40.09 88.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.931 0.396 . . . . 0.0 110.42 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 81.3 mt -66.93 -37.7 79.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.304 0.573 . . . . 0.0 109.908 174.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.492 ' HA2' HG23 ' A' ' 89' ' ' VAL . . . -65.17 -27.83 72.82 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.337 177.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -75.48 -34.5 60.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.077 0.465 . . . . 0.0 110.158 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 -47.03 -40.38 14.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.706 -1.133 . . . . 0.0 112.452 -175.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.575 ' CE1' HG22 ' A' ' 89' ' ' VAL . 49.3 p90 -131.2 4.64 4.41 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.887 177.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 64.99 82.12 0.19 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.313 175.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.575 HG22 ' CE1' ' A' ' 87' ' ' PHE . 16.7 t -69.12 -82.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.94 177.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.428 ' O ' ' HB2' ' A' ' 91' ' ' ARG . 10.0 tpp180 -162.08 9.87 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.012 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.428 ' HB2' ' O ' ' A' ' 90' ' ' ARG . 30.7 mmt180 66.07 29.16 10.14 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.586 -173.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.417 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 72.2 m-85 -135.33 146.8 59.44 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.925 176.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 92' ' ' PHE . 14.4 Cg_exo -69.38 137.77 37.39 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.858 2.372 . . . . 0.0 111.938 177.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -152.21 -176.91 5.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.67 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.569 ' HB ' ' HB2' ' A' ' 107' ' ' LEU . 3.7 m -116.65 115.23 25.28 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 38' ' ' VAL . 50.4 mt -98.93 128.54 45.12 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.768 0.285 . . . . 0.0 111.768 -171.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 57.8 t -96.91 124.89 49.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.06 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.527 ' CE1' HD13 ' A' ' 39' ' ' ILE . 93.5 m-85 -121.14 126.95 51.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.025 0.44 . . . . 0.0 110.854 -178.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.1 p -142.64 142.55 32.1 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.683 176.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 65.34 20.32 11.8 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.782 0.325 . . . . 0.0 110.987 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.94 14.56 75.97 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.95 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -123.49 150.08 44.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.643 0.258 . . . . 0.0 110.819 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.417 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 58.7 tp -81.02 119.41 23.48 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 177.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.519 ' HG2' HG23 ' A' ' 123' ' ' ILE . 0.5 OUTLIER -96.99 -26.26 15.08 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.563 -177.125 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 165.62 -170.32 40.41 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.268 -0.968 . . . . 0.0 112.579 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.417 ' HB2' HD23 ' A' ' 96' ' ' LEU . . . -140.94 146.69 37.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.85 0.357 . . . . 0.0 110.903 -178.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.569 ' HB2' ' HB ' ' A' ' 95' ' ' THR . 4.0 mm? -78.42 106.35 10.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.58 178.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.4 m -93.89 98.52 11.11 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.723 175.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -76.05 67.16 2.44 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.749 -177.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 39.1 pt -116.68 2.23 7.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.021 0.439 . . . . 0.0 110.47 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -144.03 151.62 52.82 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.093 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -71.31 -179.72 3.83 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 123.078 2.518 . . . . 0.0 112.808 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 3.7 t-105 -70.05 101.11 1.74 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.528 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -173.08 -47.4 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.345 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -75.22 -1.66 24.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.14 -176.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 47.4 mt -59.55 -35.09 73.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.694 176.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.25 -41.91 94.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.187 -179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 30.8 m -80.07 -43.56 21.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.105 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.33 -48.6 74.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.833 -176.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.527 ' HE2' ' HA ' ' A' ' 120' ' ' MET . 26.0 mmt -68.56 -21.47 64.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.254 -176.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.46 ' O ' ' HD3' ' A' ' 121' ' ' ARG . 2.3 tmt_? -64.83 -32.85 74.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.892 0.377 . . . . 0.0 110.702 -177.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 38.3 t -73.96 -30.37 62.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.016 0.436 . . . . 0.0 110.739 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.519 HG23 ' HG2' ' A' ' 104' ' ' ARG . 60.5 mt -86.34 -50.72 13.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.06 -178.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.589 HG11 ' HZ ' ' A' ' 68' ' ' PHE . 2.3 m -153.27 82.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.883 -177.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 . . . . . 0 C--N 1.327 -0.412 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 178.658 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.461 ' HG ' HG22 ' A' ' 56' ' ' VAL . 1.5 tm? . . . . . 0 CA--C 1.527 0.095 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.47 ' HE3' ' HA ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -61.64 -39.04 89.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.413 176.833 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -60.85 -40.61 93.54 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.857 175.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -61.09 -42.75 99.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.455 HD22 ' CD1' ' A' ' 19' ' ' TRP . 60.9 mt -66.65 -39.25 88.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.213 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 11' ' ' TRP . 96.0 mt -64.72 -26.94 68.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.856 176.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 57.1 m -66.8 -48.89 67.57 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 175.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -172.64 112.08 0.25 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.765 175.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.8 153.67 5.95 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.261 176.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.455 ' CD1' HD22 ' A' ' 14' ' ' LEU . 15.4 m95 62.41 -164.67 0.25 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.9 0.381 . . . . 0.0 111.167 177.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -153.65 110.48 2.55 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.004 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -66.68 96.03 0.35 Allowed 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.455 2.104 . . . . 0.0 111.045 172.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.1 m -93.32 170.34 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.379 0.609 . . . . 0.0 112.027 -175.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -148.88 161.23 42.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.715 -1.13 . . . . 0.0 109.043 -175.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.55 -28.52 64.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.004 0.43 . . . . 0.0 110.594 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.4 m -64.09 -30.0 71.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.014 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.6 t -128.26 12.3 6.53 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 120.964 -0.295 . . . . 0.0 111.675 -174.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.0 p -65.95 -34.6 71.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.795 0.331 . . . . 0.0 110.748 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -59.95 -52.99 63.02 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.832 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -61.94 -42.28 98.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.048 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.588 ' O ' HG22 ' A' ' 34' ' ' VAL . 15.9 t90 -59.62 -53.82 53.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.611 -178.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.456 HD11 HD11 ' A' ' 39' ' ' ILE . 45.9 mm -60.39 -42.39 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.245 -178.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -62.09 -49.03 77.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.316 0.579 . . . . 0.0 111.604 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -67.58 -45.92 74.16 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.988 -174.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.588 HG22 ' O ' ' A' ' 30' ' ' TRP . 21.8 m -84.57 -36.55 11.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.816 -174.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.26 -53.02 4.74 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.203 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -116.99 122.39 44.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.012 0.434 . . . . 0.0 110.476 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.62 173.4 46.26 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.373 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.599 HG12 ' HA ' ' A' ' 97' ' ' VAL . 15.5 m -136.23 135.35 49.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.75 0.309 . . . . 0.0 111.21 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.456 HD11 HD11 ' A' ' 31' ' ' ILE . 2.6 mp -102.54 115.05 43.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 173.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 tt -85.97 120.7 27.65 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.455 ' O ' ' HA ' ' A' ' 93' ' ' PRO . 10.6 mp -86.28 105.87 16.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.001 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.9 t . . . . . 0 CA--C 1.533 0.324 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.417 175.202 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.461 HG22 ' HG ' ' A' ' 10' ' ' LEU . 49.4 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.136 0.493 . . . . 0.0 110.199 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -63.9 -35.85 82.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.673 -177.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.445 ' H ' HD12 ' A' ' 58' ' ' ILE . 3.5 mp -60.12 -31.54 48.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -178.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.458 ' O ' ' HG3' ' A' ' 63' ' ' ARG . . . -63.98 -38.79 92.37 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.039 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -74.71 -36.23 62.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.072 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.26 -41.03 87.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.53 177.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.555 HD12 HG21 ' A' ' 72' ' ' VAL . 6.7 tt -56.51 -42.73 78.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.263 177.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 59' ' ' ALA . 48.1 mtp180 -69.89 -16.18 63.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.319 -175.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -95.53 2.4 54.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.189 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.68 88.48 13.81 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.671 0.272 . . . . 0.0 111.037 178.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -90.23 15.32 1.9 Allowed 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.823 2.349 . . . . 0.0 111.527 175.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -75.15 -37.93 61.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.584 -175.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.444 ' CE2' ' HB ' ' A' ' 124' ' ' VAL . 0.1 OUTLIER -159.13 177.51 11.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.1 0.476 . . . . 0.0 112.072 -178.301 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -110.5 118.67 36.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.326 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -142.83 150.24 39.66 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.248 0.547 . . . . 0.0 111.662 -174.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.566 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 1.9 mp0 -91.24 123.83 34.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.241 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.555 HG21 HD12 ' A' ' 62' ' ' LEU . 53.4 t -92.2 121.4 42.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.372 179.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.98 162.25 21.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.651 -177.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.3 p -145.12 141.2 22.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.516 -177.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.532 ' HB1' ' HB3' ' A' ' 79' ' ' GLN . . . -94.78 130.78 41.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.334 177.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -74.85 86.17 2.23 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -172.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.1 mt 62.57 -75.85 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.945 1.298 . . . . 0.0 112.662 170.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -77.24 -35.89 55.02 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.107 -173.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.532 ' HB3' ' HB1' ' A' ' 75' ' ' ALA . 9.0 tp-100 -58.71 -27.2 64.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.342 -175.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 95.3 p -63.03 -30.95 72.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.408 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.549 ' HA ' ' HB3' ' A' ' 91' ' ' ARG . 34.4 tt0 -60.81 -55.13 36.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -174.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.4 -37.75 85.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.497 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.441 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 70.5 mt -67.07 -51.96 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.753 0.311 . . . . 0.0 110.911 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.496 ' HA3' ' O ' ' A' ' 90' ' ' ARG . . . -66.73 -34.46 87.43 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.728 -177.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -66.53 -31.86 72.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.255 0.55 . . . . 0.0 110.28 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.441 ' HB3' ' O ' ' A' ' 83' ' ' ILE . 8.7 tpm_? -53.51 -43.87 68.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.712 175.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.408 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 5.9 m-85 -83.81 -79.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.013 0.435 . . . . 0.0 109.861 178.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 87' ' ' PHE . 9.1 t30 173.75 20.27 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.451 -175.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.1 t -110.29 -20.39 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.153 0.502 . . . . 0.0 110.151 -174.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.496 ' O ' ' HA3' ' A' ' 84' ' ' GLY . 29.8 ttt180 59.22 -147.37 0.49 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.65 -176.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.549 ' HB3' ' HA ' ' A' ' 81' ' ' GLU . 14.8 ptm180 -95.15 34.82 1.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.095 -0.378 . . . . 0.0 111.568 -177.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.427 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 80.4 m-85 -89.96 140.84 27.69 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 175.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.455 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 35.8 Cg_exo -60.91 118.05 4.88 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.801 2.334 . . . . 0.0 112.828 -177.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -162.99 159.74 23.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.053 178.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.0 m -126.49 116.12 20.61 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.5 ' HB3' HD11 ' A' ' 103' ' ' LEU . 6.1 mp -92.18 137.1 32.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.979 0.419 . . . . 0.0 110.788 -177.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.599 ' HA ' HG12 ' A' ' 38' ' ' VAL . 60.7 t -96.25 108.35 21.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.783 -176.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -103.06 102.93 12.97 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.308 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.469 ' O ' ' HB3' ' A' ' 100' ' ' ASP . 1.2 p -129.73 142.57 50.68 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.469 ' HB3' ' O ' ' A' ' 99' ' ' THR . 33.8 t70 73.39 8.82 5.16 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.989 0.899 . . . . 0.0 109.551 -175.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.22 2.05 90.3 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.505 -172.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -113.34 137.31 51.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.801 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.5 HD11 ' HB3' ' A' ' 96' ' ' LEU . 41.4 tp -67.81 107.67 2.7 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 174.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -96.24 -30.74 13.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.715 -172.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -173.96 -174.47 40.87 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.182 -1.009 . . . . 0.0 112.463 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.436 ' HA ' ' HA ' ' A' ' 96' ' ' LEU . . . -150.69 137.37 18.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.692 0.282 . . . . 0.0 110.717 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.638 HD11 HD21 ' A' ' 116' ' ' LEU . 4.2 mm? -104.64 143.5 33.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.952 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.1 t -141.0 -61.68 0.48 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 175.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -92.91 136.68 13.28 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.727 175.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.442 ' O ' ' HB2' ' A' ' 111' ' ' HIS . 50.8 mm -67.97 -45.79 83.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.458 0.129 . . . . 0.0 111.121 -177.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.741 ' HB3' ' HD2' ' A' ' 112' ' ' PRO . 62.7 m80 69.65 173.33 0.09 OUTLIER Pre-proline 0 N--CA 1.47 0.565 0 O-C-N 123.47 0.481 . . . . 0.0 111.519 177.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.741 ' HD2' ' HB3' ' A' ' 111' ' ' HIS . 56.8 Cg_endo -71.86 10.75 0.79 Allowed 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 122.806 2.337 . . . . 0.0 113.221 176.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 78.82 -14.83 0.82 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.641 0.776 . . . . 0.0 111.899 173.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.77 -34.68 73.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.425 0.631 . . . . 0.0 110.767 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.475 ' O ' ' HG ' ' A' ' 119' ' ' LEU . 12.0 mp0 -74.31 -39.74 62.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.952 178.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.638 HD21 HD11 ' A' ' 107' ' ' LEU . 43.6 mt -61.9 -37.1 83.35 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.848 177.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.94 -43.13 99.1 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 177.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 42.0 m -66.18 -38.1 87.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.915 177.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 115' ' ' GLU . 95.5 mt -69.26 -49.63 54.45 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -67.88 -20.26 65.11 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.964 0.411 . . . . 0.0 110.933 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.407 ' HD3' HH11 ' A' ' 121' ' ' ARG . 34.7 ttt180 -63.02 -67.5 0.42 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.382 178.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.7 m -78.39 -45.42 22.43 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -176.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 65.4 mt -78.5 -50.46 19.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 -162.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.444 ' HB ' ' CE2' ' A' ' 68' ' ' PHE . 27.0 m -86.18 29.45 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -168.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 30.7 t70 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.127 179.932 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 62.2 tp . . . . . 0 CA--C 1.529 0.15 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.531 ' CZ2' ' HA ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -59.37 -42.0 90.6 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.277 0.56 . . . . 0.0 110.577 -178.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.02 -43.29 88.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.533 179.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.28 -46.29 84.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.467 -177.061 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.5 pp -66.73 -37.98 85.74 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.113 -176.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.515 HD21 ' HZ3' ' A' ' 11' ' ' TRP . 30.7 mt -62.96 -30.04 71.27 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.06 0.457 . . . . 0.0 111.185 177.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.6 m -72.92 -26.3 61.36 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.069 -178.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -97.85 -40.6 8.44 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.967 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.69 -120.97 0.86 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.362 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.1 m95 66.01 -172.78 0.19 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.159 0.504 . . . . 0.0 111.867 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -160.4 119.88 1.6 Allowed Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.909 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.649 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 18.5 Cg_exo -69.14 114.75 3.71 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.382 2.055 . . . . 0.0 110.968 171.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.495 HG13 ' HB1' ' A' ' 73' ' ' ALA . 3.6 m -93.77 159.08 2.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.337 0.589 . . . . 0.0 111.625 -179.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.434 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 50.1 mt-10 -137.43 157.57 46.3 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.434 -177.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.41 -26.72 61.09 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.141 0.496 . . . . 0.0 110.561 -178.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.1 m -64.67 -27.8 69.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.08 -176.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.3 t -134.75 11.94 3.69 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -174.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.434 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 8.3 p -65.05 -37.21 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.943 0.402 . . . . 0.0 111.201 -177.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.01 -47.61 76.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.517 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -72.89 -35.6 67.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.157 -174.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.469 ' O ' HG22 ' A' ' 34' ' ' VAL . 41.3 t90 -61.62 -47.89 83.39 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.454 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.0 mm -62.99 -38.74 82.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.035 0.445 . . . . 0.0 110.555 178.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -59.69 -36.03 75.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.83 177.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.28 -46.11 16.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.642 -176.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 30' ' ' TRP . 28.8 m -77.01 -43.28 32.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -175.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.96 -46.29 2.27 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.976 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -124.73 139.99 53.35 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.765 0.317 . . . . 0.0 110.452 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.46 174.18 33.03 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.026 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.529 HG12 ' HA ' ' A' ' 97' ' ' VAL . 14.8 m -137.32 139.68 43.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.935 0.397 . . . . 0.0 111.311 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.465 HD13 ' CE1' ' A' ' 98' ' ' PHE . 2.2 mp -105.19 117.23 50.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 174.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.408 ' HB3' HG23 ' A' ' 74' ' ' VAL . 5.0 tt -94.27 114.99 27.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.021 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.418 HD12 HG22 ' A' ' 39' ' ' ILE . 10.1 mp -81.51 129.82 34.81 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 175.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.581 ' OG ' ' HA ' ' A' ' 77' ' ' LEU . 65.6 p . . . . . 0 C--N 1.328 -0.366 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -172.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 121.367 0.603 . . . . 0.0 110.071 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.6 ttt -55.94 -36.48 67.8 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.736 -177.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.476 ' H ' HD12 ' A' ' 58' ' ' ILE . 4.0 mp -65.55 -43.33 94.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.974 0.416 . . . . 0.0 110.643 -177.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.55 -32.23 73.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.045 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -74.06 -44.15 55.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.323 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -36.48 83.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.73 -178.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.56 HD22 HG21 ' A' ' 72' ' ' VAL . 56.2 tp -57.64 -36.37 71.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.627 -178.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -57.84 -34.99 70.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.604 -173.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.574 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 15.3 pt-20 -111.24 24.66 12.6 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.821 -177.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -84.66 102.54 2.3 Favored Pre-proline 0 CA--C 1.529 0.142 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 174.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.574 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 92.0 Cg_endo -87.23 4.65 6.02 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.641 2.227 . . . . 0.0 113.29 -171.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.15 -57.3 3.8 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.864 0.364 . . . . 0.0 110.444 -176.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.414 ' N ' ' CD1' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -159.65 155.13 25.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.575 -176.271 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -94.14 72.55 3.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.914 178.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.474 ' CZ3' HG13 ' A' ' 97' ' ' VAL . 0.2 OUTLIER -85.09 169.28 14.07 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.188 0.518 . . . . 0.0 111.997 -176.297 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.433 HE21 ' HB ' ' A' ' 34' ' ' VAL . 2.3 mp0 -85.95 128.78 34.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.902 -175.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.56 HG21 HD22 ' A' ' 62' ' ' LEU . 62.4 t -106.95 122.91 61.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 177.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.495 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -133.76 158.39 43.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.856 -178.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.649 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 12.0 p -138.31 148.16 25.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -177.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.01 151.22 22.41 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 177.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.531 ' HA ' ' CZ2' ' A' ' 11' ' ' TRP . 4.7 m-20 -54.54 -71.71 0.07 Allowed 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.389 0.431 . . . . 0.0 110.953 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.581 ' HA ' ' OG ' ' A' ' 42' ' ' SER . 2.5 pt? -168.22 -42.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.687 176.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -73.92 -48.72 28.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.667 -176.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.419 ' O ' HG13 ' A' ' 83' ' ' ILE . 0.8 OUTLIER -55.63 -28.03 53.02 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.347 -174.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.2 m -50.82 -38.6 49.6 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -74.2 -41.97 60.56 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.167 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.7 -34.53 78.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.307 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.531 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 82.1 mt -69.16 -44.48 80.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.845 0.355 . . . . 0.0 110.327 177.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.59 -31.41 80.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.337 176.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -66.99 -39.13 87.08 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 123.338 0.655 . . . . 0.0 110.774 176.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.531 ' HB3' ' O ' ' A' ' 83' ' ' ILE . 14.8 tpt180 -48.72 -44.25 38.1 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.827 176.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.602 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 6.0 m-85 -85.6 -79.52 0.24 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.602 ' HB2' ' O ' ' A' ' 87' ' ' PHE . 63.3 t30 153.87 35.13 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.72 0 O-C-N 124.822 1.326 . . . . 0.0 108.755 -177.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 42.9 t -81.66 99.42 4.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.064 0.459 . . . . 0.0 110.609 -175.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -96.32 -12.36 24.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.89 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -122.41 99.1 6.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.66 -0.246 . . . . 0.0 111.541 -174.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 64.98 98.83 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.366 0 O-C-N 124.087 0.867 . . . . 0.0 112.846 173.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -69.01 150.21 72.51 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.486 2.124 . . . . 0.0 110.628 171.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -159.77 -159.32 0.72 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.735 0.302 . . . . 0.0 110.779 -170.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.45 HG22 ' HB ' ' A' ' 38' ' ' VAL . 7.7 m -98.4 117.65 33.29 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 176.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.408 HD22 ' N ' ' A' ' 96' ' ' LEU . 3.0 mm? -89.65 134.6 34.07 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.997 0.427 . . . . 0.0 110.81 -177.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.529 ' HA ' HG12 ' A' ' 38' ' ' VAL . 86.4 t -90.32 114.05 27.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.627 -177.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.465 ' CE1' HD13 ' A' ' 39' ' ' ILE . 92.5 m-85 -112.94 124.61 53.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.368 0.604 . . . . 0.0 110.255 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.3 m -146.77 147.24 30.71 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.5 t0 68.23 13.14 9.0 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.476 0.655 . . . . 0.0 110.126 -178.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.06 6.13 89.29 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.476 -174.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -121.12 157.05 30.99 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.876 0.37 . . . . 0.0 111.17 -177.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.451 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 54.2 tp -80.91 116.68 21.01 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 178.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.592 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 0.8 OUTLIER -91.0 -50.06 6.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.998 -176.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -170.42 -146.13 5.02 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.817 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -146.6 165.02 30.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.489 0.185 . . . . 0.0 110.55 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.64 88.99 7.06 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.8 p -106.74 13.47 27.96 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.82 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -79.56 63.36 3.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.362 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 17.7 tt -84.72 -14.81 11.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.694 0.759 . . . . 0.0 110.181 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.45 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 11.5 t-160 -94.11 123.52 58.86 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 111' ' ' HIS . 58.2 Cg_exo -52.78 89.85 0.03 OUTLIER 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 123.602 2.868 . . . . 0.0 114.743 -172.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.462 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.1 OUTLIER 61.1 -161.37 0.29 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.29 -0.868 . . . . 0.0 112.795 172.718 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 72.12 -63.85 0.41 Allowed 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 123.622 0.769 . . . . 0.0 111.084 -174.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -79.75 -19.3 49.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.905 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 113' ' ' TRP . 19.0 mt -59.12 -33.28 70.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.668 175.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 75.6 mt -65.32 -39.43 92.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.015 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.0 m -68.55 -45.03 73.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.65 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 98.0 mt -62.13 -49.94 73.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.004 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 71.4 mtm -62.29 -37.18 84.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.318 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -56.8 -50.75 71.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.708 0.29 . . . . 0.0 111.536 -178.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.0 m -76.69 -34.64 58.19 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.624 HG22 HG13 ' A' ' 124' ' ' VAL . 35.9 mm -83.78 -49.24 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -172.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.624 HG13 HG22 ' A' ' 123' ' ' ILE . 4.6 m -129.57 76.91 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.505 0.669 . . . . 0.0 111.083 -174.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 24.2 t70 . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.744 177.921 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.776 0.322 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.61 ' CZ3' ' HG3' ' A' ' 21' ' ' PRO . 0.5 OUTLIER -62.97 -36.11 82.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.429 179.429 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -61.49 -37.83 85.07 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.346 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.413 ' O ' ' HB ' ' A' ' 16' ' ' THR . 26.2 mmt180 -73.38 -28.39 62.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.356 178.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.493 ' HB3' ' HB2' ' A' ' 19' ' ' TRP . 83.4 mt -61.46 -48.37 81.43 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 175.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.17 -30.84 71.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.797 175.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.413 ' HB ' ' O ' ' A' ' 13' ' ' ARG . 67.3 m -58.99 -49.76 76.68 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.409 177.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -69.89 -44.94 68.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.821 0.343 . . . . 0.0 110.565 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.79 38.14 0.14 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.432 -0.89 . . . . 0.0 112.63 178.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.493 ' HB2' ' HB3' ' A' ' 14' ' ' LEU . 12.0 m95 -93.07 124.62 37.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.908 0.385 . . . . 0.0 110.239 179.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -105.08 119.66 52.42 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.82 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.61 ' HG3' ' CZ3' ' A' ' 11' ' ' TRP . 19.2 Cg_exo -68.25 107.59 1.6 Allowed 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.538 2.159 . . . . 0.0 111.386 175.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.502 HG21 HG13 ' A' ' 39' ' ' ILE . 15.3 m -101.1 175.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.586 -176.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.518 ' HB2' HG22 ' A' ' 26' ' ' THR . 42.3 mt-10 -145.52 161.18 40.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.574 -174.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.12 -18.35 60.81 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.095 0.474 . . . . 0.0 110.785 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.6 p -81.93 -18.32 44.03 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.579 -178.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.518 HG22 ' HB2' ' A' ' 23' ' ' GLU . 9.0 t -131.08 12.94 5.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.802 0.334 . . . . 0.0 111.246 -176.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.8 -38.88 83.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.044 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -64.4 -49.83 70.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.142 0.496 . . . . 0.0 110.497 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -65.6 -42.12 92.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.619 -176.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.486 ' O ' HG22 ' A' ' 34' ' ' VAL . 53.9 t90 -60.38 -47.37 86.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.4 -177.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.48 HD11 ' CD1' ' A' ' 39' ' ' ILE . 33.9 mm -62.02 -40.64 88.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.554 178.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.433 ' HD2' ' O ' ' A' ' 32' ' ' LYS . 4.0 tmmm? -58.62 -42.52 88.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.274 178.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -74.04 -47.0 39.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.523 -175.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 30' ' ' TRP . 33.3 m -78.45 -37.11 21.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.0 -0.546 . . . . 0.0 112.006 -174.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.51 -54.51 4.93 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.501 -0.64 . . . . 0.0 111.501 -177.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -124.57 125.79 44.74 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 120.797 0.332 . . . . 0.0 110.292 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.546 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . -178.7 174.22 46.42 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.028 -0.606 . . . . 0.0 111.938 -179.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.553 HG12 ' HA ' ' A' ' 97' ' ' VAL . 13.3 m -133.68 127.21 52.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 O-C-N 122.812 -0.228 . . . . 0.0 111.088 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.659 HG21 HG21 ' A' ' 83' ' ' ILE . 1.9 mp -91.51 116.42 32.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 174.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.528 HD11 HD13 ' A' ' 58' ' ' ILE . 3.8 tt -94.7 130.05 41.35 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.699 178.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.485 ' HB2' ' H ' ' A' ' 94' ' ' ALA . 7.7 mp -91.2 108.76 20.1 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.551 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.476 ' HA ' ' O ' ' A' ' 76' ' ' ASP . 15.5 m . . . . . 0 CA--C 1.531 0.233 0 C-N-CA 123.31 0.644 . . . . 0.0 112.49 177.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.5 m . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.723 0.297 . . . . 0.0 111.75 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 91.7 mtp -55.52 -49.13 73.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.355 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.705 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 4.4 mp -65.83 -45.94 90.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -179.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.41 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -58.29 -38.39 76.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.707 -178.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.478 ' OE2' ' HD2' ' A' ' 63' ' ' ARG . 7.3 tp10 -74.14 -39.62 63.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.519 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -60.84 -41.2 95.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.403 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.705 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 76.3 mt -51.36 -29.65 16.1 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.518 -178.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.478 ' HD2' ' OE2' ' A' ' 60' ' ' GLU . 72.7 mtt180 -65.62 -34.01 77.22 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -173.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -120.53 -1.06 10.17 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -173.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -59.1 107.61 1.04 Allowed Pre-proline 0 N--CA 1.467 0.417 0 CA-C-N 118.195 0.452 . . . . 0.0 110.904 -175.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -89.88 -5.28 5.19 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 123.017 2.478 . . . . 0.0 112.987 -173.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -88.92 -37.7 15.07 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.534 -175.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -136.2 136.42 39.94 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.806 -173.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -103.19 75.41 1.36 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 165.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.546 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . 0.1 OUTLIER -101.46 164.73 11.62 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.853 -1.067 . . . . 0.0 112.115 -172.13 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.43 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 1.7 mp0 -91.11 135.38 33.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.507 176.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.51 HG21 HD13 ' A' ' 62' ' ' LEU . 9.6 t -90.08 129.88 40.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.211 -176.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.459 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . . . -125.96 140.91 52.24 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.913 0.387 . . . . 0.0 110.55 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.578 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 5.5 p -145.39 138.99 21.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.884 179.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.434 ' HB1' ' HB2' ' A' ' 79' ' ' GLN . . . -107.49 154.29 21.59 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.481 ' CG ' ' H ' ' A' ' 77' ' ' LEU . 20.9 p-10 -64.99 -70.78 0.21 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -172.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.481 ' H ' ' CG ' ' A' ' 76' ' ' ASP . 69.0 mt -159.78 -56.9 0.06 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -176.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -71.29 -40.95 70.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.442 -177.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.493 ' O ' HG13 ' A' ' 83' ' ' ILE . 88.4 mm-40 -67.13 -35.79 80.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.42 178.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.6 m -57.7 -46.36 84.44 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.673 176.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -59.12 -43.05 91.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.491 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.48 -38.89 68.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.164 -177.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.659 HG21 HG21 ' A' ' 39' ' ' ILE . 80.9 mt -61.66 -47.35 93.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.596 0.236 . . . . 0.0 110.958 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -66.35 -31.68 79.68 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.429 -0.891 . . . . 0.0 112.003 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.544 ' HB2' ' HD2' ' A' ' 90' ' ' ARG . 18.9 t70 -68.26 -32.33 72.43 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 122.817 0.447 . . . . 0.0 110.69 -178.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -44.51 -45.5 9.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.408 177.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.431 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -101.52 -73.53 0.65 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.678 178.247 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 87' ' ' PHE . 15.8 t-20 170.18 25.12 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.27 0.557 . . . . 0.0 110.001 -173.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.0 t -116.6 28.09 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 122.121 0.962 . . . . 0.0 109.041 -175.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.544 ' HD2' ' HB2' ' A' ' 85' ' ' ASP . 53.7 ttt180 -77.3 76.45 3.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.281 177.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.423 ' HD2' ' HA ' ' A' ' 91' ' ' ARG . 14.7 tpt180 -149.03 78.16 1.38 Allowed 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.225 -175.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.488 ' HB3' ' HD2' ' A' ' 93' ' ' PRO . 86.8 m-85 67.53 172.69 0.09 OUTLIER Pre-proline 0 CA--C 1.539 0.529 0 O-C-N 123.701 0.626 . . . . 0.0 112.006 174.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.488 ' HD2' ' HB3' ' A' ' 92' ' ' PHE . 48.4 Cg_exo -59.63 131.48 40.4 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.553 2.168 . . . . 0.0 112.969 177.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.485 ' H ' ' HB2' ' A' ' 41' ' ' LEU . . . -159.25 -176.56 5.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.426 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.6 m -131.04 121.99 25.99 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.44 ' HB2' ' HE1' ' A' ' 98' ' ' PHE . 62.7 mt -94.23 135.33 35.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.518 -178.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.553 ' HA ' HG12 ' A' ' 38' ' ' VAL . 48.1 t -101.88 117.22 46.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.997 -175.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.532 ' CE2' HD13 ' A' ' 103' ' ' LEU . 68.7 m-85 -119.04 115.38 24.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.354 179.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 100' ' ' ASP . 49.8 p -129.46 150.15 50.93 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 175.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 99' ' ' THR . 10.4 m-20 68.42 12.02 8.57 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.315 0.384 . . . . 0.0 111.26 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 77.86 13.42 83.43 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.034 -0.603 . . . . 0.0 111.825 -172.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -123.82 144.51 49.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.738 0.304 . . . . 0.0 110.877 -177.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.532 HD13 ' CE2' ' A' ' 98' ' ' PHE . 54.1 tp -78.34 122.3 25.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.132 0.491 . . . . 0.0 110.403 178.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -92.88 -42.17 9.65 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.624 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 162.17 -148.92 16.66 Favored Glycine 0 N--CA 1.444 -0.824 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 -178.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -125.82 154.13 43.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.737 0.303 . . . . 0.0 110.778 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 107' ' ' LEU . 0.5 OUTLIER -86.94 92.82 9.15 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 178.068 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 24.7 m -139.53 97.5 3.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 -176.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -106.83 151.07 16.88 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 175.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 34.6 pt -94.99 -10.5 9.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.577 0.703 . . . . 0.0 110.084 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.926 ' HB3' ' HG2' ' A' ' 115' ' ' GLU . 46.7 t60 -125.24 130.66 24.08 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 175.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -41.76 -49.44 5.43 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.618 2.878 . . . . 0.0 114.316 -173.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.574 ' HD1' ' H ' ' A' ' 114' ' ' ALA . 0.9 OUTLIER -141.3 -164.66 1.81 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 177.169 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.574 ' H ' ' HD1' ' A' ' 113' ' ' TRP . . . 71.23 -66.99 0.27 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.63 0.772 . . . . 0.0 111.335 -177.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.926 ' HG2' ' HB3' ' A' ' 111' ' ' HIS . 0.0 OUTLIER -66.58 -22.04 66.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.704 -0.225 . . . . 0.0 110.95 -178.236 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.3 mt -50.19 -34.1 21.53 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.513 176.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.537 ' O ' ' HG3' ' A' ' 121' ' ' ARG . 91.0 mt -70.25 -43.33 70.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.867 0.365 . . . . 0.0 110.215 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.514 ' O ' ' HB2' ' A' ' 121' ' ' ARG . 19.1 m -67.7 -42.95 81.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.728 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 115' ' ' GLU . 3.7 mm? -62.18 -48.37 80.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.52 175.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 46.9 tpp -53.92 -34.96 61.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.252 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.537 ' HG3' ' O ' ' A' ' 117' ' ' LEU . 46.7 mtt180 -53.65 -52.44 59.95 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.113 0.482 . . . . 0.0 111.399 177.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.8 t -66.89 -36.51 82.46 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.169 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 75.3 mt -67.03 -50.28 65.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.858 0.361 . . . . 0.0 111.266 -177.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.0 m -134.44 75.24 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.503 0.668 . . . . 0.0 110.271 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.4 t70 . . . . . 0 N--CA 1.465 0.296 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.159 -178.509 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.9 mt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 121.007 0.432 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 22.4 t-105 -70.98 -32.86 69.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.115 -177.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.07 -38.4 82.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.778 176.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -65.01 -29.26 70.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.648 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 77.5 mt -71.56 -45.78 61.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.196 178.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.32 -28.86 70.3 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 176.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.485 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 58.4 m -62.85 -57.15 11.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.788 175.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 16' ' ' THR . 19.1 mtt180 -176.2 119.24 0.14 Allowed 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.576 175.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 156.08 -97.92 0.17 Allowed Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.903 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.567 ' CE3' HG11 ' A' ' 74' ' ' VAL . 46.8 m0 -90.21 129.34 36.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.656 0.265 . . . . 0.0 110.828 178.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -90.73 116.19 65.86 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 173.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.502 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 42.7 Cg_endo -68.93 122.69 9.6 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.6 2.2 . . . . 0.0 112.065 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.7 m -117.33 176.62 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.119 0.485 . . . . 0.0 111.444 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -151.46 170.73 18.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.744 -174.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.96 -22.85 61.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.221 0.534 . . . . 0.0 109.754 173.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 m -63.04 -34.53 77.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.139 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.1 t -122.37 3.25 9.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.837 -174.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.8 p -62.19 -40.2 86.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-O 120.833 0.349 . . . . 0.0 110.922 -176.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -61.4 -53.46 56.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.091 0.472 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.68 -29.69 68.2 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.798 -176.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.645 ' O ' HG22 ' A' ' 34' ' ' VAL . 36.7 t90 -62.25 -56.01 22.76 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.495 HD12 ' HE3' ' A' ' 30' ' ' TRP . 2.0 mp -60.3 -38.41 77.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 CA-C-O 121.036 0.446 . . . . 0.0 110.263 177.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -60.96 -44.87 96.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.363 178.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -81.0 -46.94 14.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.293 -171.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.645 HG22 ' O ' ' A' ' 30' ' ' TRP . 21.8 m -94.88 -35.02 5.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -175.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.07 -52.33 2.86 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.976 177.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.443 ' OD1' ' HA ' ' A' ' 99' ' ' THR . 14.5 m-20 -115.47 153.91 30.26 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.802 0.334 . . . . 0.0 111.109 -174.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.515 ' HA3' ' HH2' ' A' ' 30' ' ' TRP . . . 148.17 -167.09 28.98 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.828 177.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.504 HG12 ' HA ' ' A' ' 97' ' ' VAL . 15.8 m -140.27 146.7 24.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 117.04 0.42 . . . . 0.0 111.284 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.549 HG21 HG21 ' A' ' 83' ' ' ILE . 2.4 mp -118.16 124.6 73.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 173.29 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tt -96.62 118.02 32.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.715 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.51 ' HA ' ' HB2' ' A' ' 80' ' ' SER . 7.5 mp -86.03 129.08 34.95 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 178.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.629 ' HB3' ' HB3' ' A' ' 93' ' ' PRO . 46.6 t . . . . . 0 N--CA 1.463 0.186 0 O-C-N 123.917 0.761 . . . . 0.0 110.48 -175.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.234 0.257 0 CA-C-O 121.337 0.589 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.436 ' HB3' HD12 ' A' ' 58' ' ' ILE . 37.1 ttm 176.59 -59.6 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.756 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.444 ' H ' HD12 ' A' ' 58' ' ' ILE . 3.7 mp -65.96 -33.27 62.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.265 -178.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.474 ' O ' ' HG2' ' A' ' 63' ' ' ARG . . . -61.33 -51.23 69.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.623 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.578 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 2.2 mp0 -60.26 -43.25 96.33 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.694 178.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.9 mt -52.24 -51.24 59.49 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.26 0.553 . . . . 0.0 111.172 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 45.5 tp -61.98 -34.73 76.69 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.61 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' A' ' 59' ' ' ALA . 24.1 mmt180 -75.97 -36.95 59.08 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -174.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.578 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 13.2 pt-20 -111.85 24.93 12.12 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -175.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -79.0 108.1 7.52 Favored Pre-proline 0 C--N 1.33 -0.243 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 177.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 90.3 Cg_endo -94.95 15.38 1.13 Allowed 'Trans proline' 0 N--CA 1.455 -0.765 0 C-N-CA 123.033 2.488 . . . . 0.0 113.306 -174.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.24 -66.49 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.649 -176.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.463 ' HE2' HG11 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -144.94 177.83 8.47 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -175.209 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -109.12 116.25 31.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.267 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -140.04 179.18 6.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.936 0.398 . . . . 0.0 111.611 -175.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.417 HE21 ' HB ' ' A' ' 34' ' ' VAL . 1.9 mp0 -91.92 140.43 29.67 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.872 -174.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.9 p -110.87 130.97 63.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.046 176.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -143.41 143.28 31.56 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.091 0.472 . . . . 0.0 111.374 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.567 HG11 ' CE3' ' A' ' 19' ' ' TRP . 25.3 m -129.24 144.69 37.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 177.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.495 ' HB3' ' HB3' ' A' ' 80' ' ' SER . . . -103.76 156.51 17.76 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.851 -173.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.555 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 10.1 t70 -56.94 139.18 52.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.829 174.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.7 tt -52.56 -43.09 65.0 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.273 0.358 . . . . 0.0 110.995 -176.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -77.86 -53.37 7.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.974 0.416 . . . . 0.0 110.786 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.555 ' HB2' ' HB3' ' A' ' 76' ' ' ASP . 14.1 mm100 -62.63 -24.04 67.39 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -172.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.51 ' HB2' ' HA ' ' A' ' 41' ' ' LEU . 22.6 p -68.87 -20.73 64.27 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -176.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -65.04 -43.32 92.75 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.191 0.52 . . . . 0.0 109.883 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.2 -28.31 69.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.186 176.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.585 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 52.5 mt -65.41 -47.71 85.85 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.173 0 CA-C-O 120.904 0.383 . . . . 0.0 110.29 177.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.93 -40.51 99.37 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.387 -0.911 . . . . 0.0 111.594 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -65.09 -35.81 82.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.921 0.391 . . . . 0.0 110.853 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.585 ' HB3' ' O ' ' A' ' 83' ' ' ILE . 8.9 tpt180 -46.34 -48.23 18.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.279 175.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.488 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 9.1 m-85 -82.99 -77.71 0.23 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 177.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.488 ' HB2' ' O ' ' A' ' 87' ' ' PHE . 6.2 t30 171.16 24.96 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.218 -177.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 46.8 t -117.71 111.24 33.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 121.861 -0.524 . . . . 0.0 110.887 -172.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 90' ' ' ARG . 16.3 ttm180 -137.92 86.07 2.15 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 175.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 -165.77 82.09 0.31 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.248 -176.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 69.63 163.9 0.14 Allowed Pre-proline 0 N--CA 1.469 0.513 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.171 175.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.629 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 22.8 Cg_exo -66.53 140.0 55.64 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.865 2.377 . . . . 0.0 112.287 177.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -157.19 161.31 39.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.421 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.8 m -109.04 120.15 41.68 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 177.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 82.4 mt -92.75 131.79 37.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.724 -177.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.504 ' HA ' HG12 ' A' ' 38' ' ' VAL . 58.6 t -97.53 114.29 34.29 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.805 -178.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -108.96 120.39 42.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.152 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.491 ' OG1' ' HG3' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -146.26 143.63 29.32 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.808 177.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.0 t70 72.04 10.84 6.1 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.723 0.773 . . . . 0.0 109.903 -178.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.08 4.17 90.33 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.544 -174.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -115.13 150.46 35.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.942 0.401 . . . . 0.0 111.08 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 45.8 tp -79.6 109.25 13.81 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 173.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.491 ' HG3' ' OG1' ' A' ' 99' ' ' THR . 22.0 mmm180 -94.56 -47.24 6.62 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.579 -169.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -155.11 179.47 31.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.259 -0.972 . . . . 0.0 112.241 -177.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -147.68 134.13 19.7 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.746 0.308 . . . . 0.0 110.738 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 107' ' ' LEU . 4.2 mm? -70.61 103.29 2.48 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 177.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.7 m -107.97 118.25 36.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.678 -178.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 137.0 168.39 11.37 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.035 178.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 8.4 tp -77.08 -34.0 21.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-O 121.315 0.578 . . . . 0.0 110.503 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -165.05 88.38 1.01 Allowed Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 175.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.402 ' HB2' ' H ' ' A' ' 113' ' ' TRP . 6.8 Cg_exo -72.85 -94.86 0.01 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.658 2.239 . . . . 0.0 113.66 -172.145 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.778 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.2 OUTLIER 57.4 -163.2 0.19 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.887 -169.858 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 64.31 -73.09 0.05 Allowed 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 122.856 0.463 . . . . 0.0 111.635 -177.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.487 ' O ' HD23 ' A' ' 119' ' ' LEU . 12.4 pt-20 -75.42 -6.79 51.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.763 0.316 . . . . 0.0 110.343 178.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.778 HD12 ' HA ' ' A' ' 113' ' ' TRP . 2.1 mt -55.0 -33.62 62.76 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.231 176.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 117' ' ' LEU . 4.1 mm? -67.92 -33.27 74.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.023 0.44 . . . . 0.0 110.454 178.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.9 m -74.44 -45.26 47.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.1 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 115' ' ' GLU . 3.5 mm? -60.07 -49.76 76.4 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.433 179.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 45.8 ttm -54.37 -45.76 72.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -178.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 -61.06 -54.7 41.48 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.238 178.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.9 m -58.81 -40.79 85.14 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.952 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.588 HG22 HG13 ' A' ' 124' ' ' VAL . 68.7 mt -74.01 -49.68 32.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.471 -178.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.588 HG13 HG22 ' A' ' 123' ' ' ILE . 3.1 m -140.58 86.14 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-O 121.727 0.775 . . . . 0.0 110.971 -175.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 25.4 t70 . . . . . 0 C--N 1.319 -0.753 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.148 173.042 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.258 0 CA-C-O 120.642 0.258 . . . . 0.0 110.354 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.487 ' CZ2' ' HG ' ' A' ' 15' ' ' LEU . 12.1 t-105 -58.27 -43.29 87.89 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.141 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -54.83 -38.55 67.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.487 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.48 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 2.2 mpt_? -74.74 -36.32 62.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.34 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 70.8 mt -68.26 -31.59 71.17 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.882 0.373 . . . . 0.0 110.928 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.487 ' HG ' ' CZ2' ' A' ' 11' ' ' TRP . 1.4 mt -58.26 -29.45 65.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.648 175.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.2 m -76.97 -50.3 13.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.836 175.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -159.93 109.5 1.81 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.446 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 141.44 113.77 1.03 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.039 -0.6 . . . . 0.0 112.045 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 45.0 m0 66.79 -176.52 0.2 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.949 0.404 . . . . 0.0 110.323 -178.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.415 ' O ' ' HB1' ' A' ' 73' ' ' ALA . 64.2 tt0 -125.88 125.77 24.85 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.469 -177.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.549 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 31.8 Cg_endo -67.58 105.35 1.07 Allowed 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.4 2.067 . . . . 0.0 111.615 174.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.554 HG21 HG13 ' A' ' 39' ' ' ILE . 9.8 m -81.17 151.41 4.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.813 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.454 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 37.7 mt-10 -131.11 160.44 34.69 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.843 -174.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.56 -27.58 60.57 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.023 0.439 . . . . 0.0 110.279 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.5 m -61.44 -28.76 69.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.672 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.9 t -136.07 18.64 3.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.833 0.349 . . . . 0.0 111.313 -174.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.454 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 8.8 p -63.7 -41.79 93.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -173.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -77.19 -35.94 55.33 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.902 -177.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.621 ' O ' ' HB2' ' A' ' 33' ' ' ARG . 18.2 t70 -61.86 -47.81 83.37 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 176.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.528 ' O ' HG22 ' A' ' 34' ' ' VAL . 61.2 t90 -54.75 -43.08 72.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.487 -178.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.55 HD11 ' CD1' ' A' ' 39' ' ' ILE . 33.9 mm -66.83 -55.02 19.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.965 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.525 ' HE3' ' HA ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -67.94 -20.26 65.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.191 0.52 . . . . 0.0 111.299 -176.806 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.621 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 23.3 ttt180 -70.19 -44.83 67.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.59 -178.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 30' ' ' TRP . 15.8 m -96.3 -32.58 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.692 -178.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.46 -53.48 0.73 Allowed Glycine 0 N--CA 1.453 -0.233 0 N-CA-C 111.671 -0.572 . . . . 0.0 111.671 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -119.95 154.51 34.37 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.686 0.279 . . . . 0.0 110.352 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.37 -166.07 37.6 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.606 -0.807 . . . . 0.0 111.761 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 96' ' ' LEU . 2.1 p -158.01 138.1 4.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.365 0.602 . . . . 0.0 111.577 -177.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.554 HG13 HG21 ' A' ' 22' ' ' VAL . 2.1 mp -112.21 119.66 60.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.257 174.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 tt -94.67 114.72 26.7 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.404 HD12 HG22 ' A' ' 39' ' ' ILE . 8.1 mp -82.9 125.34 31.25 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 178.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.9 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.287 -175.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.0 m . . . . . 0 CA--C 1.522 -0.131 0 CA-C-O 121.382 0.61 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.9 mtt -58.39 -33.76 69.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.391 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.51 ' H ' HD12 ' A' ' 58' ' ' ILE . 4.3 mp -61.71 -35.46 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -177.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.17 -38.66 89.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 111.239 -177.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -75.41 -30.11 59.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.015 0.436 . . . . 0.0 110.195 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.64 -37.05 65.19 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.668 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.877 HD21 HG21 ' A' ' 72' ' ' VAL . 11.2 mp -46.44 -41.43 13.83 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.914 -0.585 . . . . 0.0 112.212 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.412 ' HD2' HH11 ' A' ' 63' ' ' ARG . 36.2 mtp85 -83.34 -27.24 29.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.963 0.411 . . . . 0.0 111.206 -173.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.435 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 30.3 mm-40 -94.26 2.7 55.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.534 -175.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -95.09 105.91 22.32 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.981 0.42 . . . . 0.0 110.34 178.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 10.7 Cg_endo -89.74 16.06 1.82 Allowed 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 123.596 2.864 . . . . 0.0 112.304 -177.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -99.79 -46.88 5.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.317 -175.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.674 ' HZ ' HG11 ' A' ' 124' ' ' VAL . 56.3 m-85 -132.42 165.88 23.28 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 121.313 0.578 . . . . 0.0 112.389 -169.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -115.31 32.71 5.88 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.497 -1.298 . . . . 0.0 107.497 169.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -59.51 166.5 2.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 114.119 -1.4 . . . . 0.0 113.811 -170.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -92.94 117.73 30.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.613 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.877 HG21 HD21 ' A' ' 62' ' ' LEU . 28.0 m -95.5 134.49 32.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.393 -176.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.43 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -144.26 172.7 12.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.397 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.549 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 2.1 p -145.13 144.04 21.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.157 -177.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.23 152.71 20.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.909 -177.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -69.12 163.24 25.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.769 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.9 tt -54.92 -60.32 3.53 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.932 -175.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -70.51 -38.68 74.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.754 0.312 . . . . 0.0 111.172 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -61.89 -24.66 67.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.595 -178.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.3 t -53.75 -39.97 65.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.915 174.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -63.53 -46.63 85.15 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.881 0.372 . . . . 0.0 110.363 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.96 96.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.347 -178.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.474 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 60.6 mt -69.54 -41.93 80.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.382 179.194 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.43 -39.76 97.18 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.843 178.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -63.29 -31.66 72.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.044 0.45 . . . . 0.0 110.923 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.474 ' HB3' ' O ' ' A' ' 83' ' ' ILE . 8.7 tpt180 -46.65 -46.16 19.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.367 176.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.501 ' CD1' ' HB ' ' A' ' 89' ' ' VAL . 1.5 p90 -122.43 14.61 10.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.926 -177.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.8 t30 62.9 27.89 16.15 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.501 0.667 . . . . 0.0 111.8 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.501 ' HB ' ' CD1' ' A' ' 87' ' ' PHE . 59.6 t -117.43 94.31 3.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.188 0.518 . . . . 0.0 110.087 177.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -132.26 14.17 4.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.17 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 33.6 mtp85 -81.33 101.55 9.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.073 -174.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 71.33 156.31 0.16 Allowed Pre-proline 0 N--CA 1.468 0.448 0 O-C-N 124.301 1.001 . . . . 0.0 110.735 -176.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -66.39 105.35 0.87 Allowed 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.117 1.878 . . . . 0.0 110.923 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -110.36 146.51 35.67 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.313 -173.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.6 m -107.11 115.43 30.16 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 175.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.48 ' O ' HG23 ' A' ' 38' ' ' VAL . 94.1 mt -93.12 135.96 33.83 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -171.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 62.0 t -92.06 120.93 42.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.485 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.416 ' CZ ' HD13 ' A' ' 103' ' ' LEU . 95.4 m-85 -121.89 114.48 21.08 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.462 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 72.2 p -138.36 165.42 26.81 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 169.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 65.21 12.24 7.86 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.805 0.336 . . . . 0.0 110.602 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 69.79 16.0 71.87 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.021 -0.609 . . . . 0.0 111.888 -171.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -123.11 170.9 9.73 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.889 0.376 . . . . 0.0 110.792 -177.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.416 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 55.6 tp -91.9 114.53 27.1 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 174.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.455 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 0.8 OUTLIER -95.93 -34.29 11.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.359 -173.302 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 171.11 -152.61 18.71 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.671 -178.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.428 ' HB2' HD23 ' A' ' 96' ' ' LEU . . . -150.3 160.06 43.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.749 0.275 . . . . 0.0 110.8 -179.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.12 91.51 8.45 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 175.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.5 m -113.25 93.2 4.29 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.481 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -74.3 124.79 8.42 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.005 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.709 HG23 ' HD2' ' A' ' 111' ' ' HIS . 16.3 tt -106.38 -23.46 4.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.576 0.703 . . . . 0.0 109.607 178.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.709 ' HD2' HG23 ' A' ' 110' ' ' ILE . 39.7 m-70 -127.82 162.3 50.31 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 174.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -69.51 85.08 0.59 Allowed 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.134 1.889 . . . . 0.0 111.488 173.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 67.9 -170.74 0.19 Allowed 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.651 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 78.22 -54.19 0.49 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.885 0.874 . . . . 0.0 111.814 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.561 ' CG ' ' HB2' ' A' ' 111' ' ' HIS . 0.0 OUTLIER -76.73 -22.26 54.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.573 0.225 . . . . 0.0 111.311 -178.253 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.9 mt -56.5 -32.82 65.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.339 175.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.73 -35.92 82.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.201 0.524 . . . . 0.0 110.074 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.5 m -79.08 -39.0 34.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.138 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.4 -48.69 79.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.522 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 13.8 tmm? -57.34 -48.25 79.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.491 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -24.97 64.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.773 -177.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 19.2 t -76.98 -37.23 55.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.792 0.329 . . . . 0.0 111.08 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 83.8 mt -78.98 -49.82 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.844 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.674 HG11 ' HZ ' ' A' ' 68' ' ' PHE . 5.8 m -125.97 73.7 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.772 0.796 . . . . 0.0 110.588 -178.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 24.9 t70 . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.059 178.881 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.607 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 47.4 tp . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 120.412 0.149 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.474 ' HZ3' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -53.72 -35.59 61.35 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 122.894 0.478 . . . . 0.0 111.211 -179.094 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -62.19 -45.45 93.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.143 0.497 . . . . 0.0 110.519 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.473 ' HD3' ' HA ' ' A' ' 13' ' ' ARG . 32.4 mmt180 -73.87 -27.53 61.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.212 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 56.2 mt -63.27 -38.54 91.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.075 0.464 . . . . 0.0 109.868 175.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.474 HD21 ' HZ3' ' A' ' 11' ' ' TRP . 59.8 mt -67.26 -25.34 66.02 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.274 175.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 30.6 m -63.93 -43.71 95.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.894 -178.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.97 131.19 6.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.746 0.308 . . . . 0.0 110.914 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.53 -77.85 0.38 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.767 172.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.538 ' CD1' HD22 ' A' ' 14' ' ' LEU . 59.6 m95 -69.31 125.95 28.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.439 0.638 . . . . 0.0 111.52 -171.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.68 ' HA ' HE21 ' A' ' 20' ' ' GLN . 0.1 OUTLIER -119.14 130.67 24.71 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.811 177.301 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.671 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 21.0 Cg_exo -65.55 111.73 1.95 Allowed 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.438 2.092 . . . . 0.0 111.791 176.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.515 HG13 ' HB1' ' A' ' 73' ' ' ALA . 4.6 m -81.01 -177.83 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.529 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.466 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 45.6 mt-10 -140.34 167.8 21.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.389 -173.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.68 -65.32 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -173.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.6 m -80.01 3.43 20.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.839 0.352 . . . . 0.0 111.052 -174.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.5 m -124.85 8.94 8.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.188 0.518 . . . . 0.0 110.598 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.519 ' O ' HG12 ' A' ' 31' ' ' ILE . 14.7 p -68.64 -41.26 82.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.729 -177.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -77.13 -26.11 52.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.233 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -67.87 -39.6 83.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.057 176.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.465 ' O ' HG22 ' A' ' 34' ' ' VAL . 63.3 t90 -67.17 -43.12 83.01 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.34 176.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' ' 27' ' ' VAL . 40.6 mm -61.15 -44.08 97.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 110.832 178.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.468 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -66.89 -23.78 66.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 176.854 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -80.78 -45.59 16.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.218 0.533 . . . . 0.0 111.031 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.634 ' HB ' ' NE2' ' A' ' 71' ' ' GLN . 33.5 m -89.96 -32.64 5.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.175 -175.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.15 -56.59 3.24 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 112.107 -0.397 . . . . 0.0 112.107 178.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -131.52 116.46 17.47 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.02 0.438 . . . . 0.0 110.415 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.31 -167.13 29.44 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.01 -177.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.553 ' HB ' ' CZ3' ' A' ' 70' ' ' TRP . 2.7 p -151.14 141.49 15.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.257 0.551 . . . . 0.0 112.138 -177.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.461 ' CD1' HD11 ' A' ' 31' ' ' ILE . 2.0 mp -110.11 122.99 65.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 174.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.497 ' HG ' HD13 ' A' ' 58' ' ' ILE . 1.2 tm? -96.94 119.17 34.92 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 176.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.434 ' HB3' ' OG ' ' A' ' 80' ' ' SER . 6.0 mp -99.68 150.01 22.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.063 -172.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.9 m . . . . . 0 N--CA 1.465 0.304 0 CA-C-N 115.159 -0.928 . . . . 0.0 112.888 173.455 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.5 m . . . . . 0 N--CA 1.449 -0.508 0 CA-C-O 121.793 0.806 . . . . 0.0 111.636 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.546 ' HG2' HD23 ' A' ' 61' ' ' LEU . 48.8 ttm -84.01 -21.01 31.81 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.691 178.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.497 HD13 ' HG ' ' A' ' 40' ' ' LEU . 2.2 mp -63.42 -28.68 45.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 114.955 -1.021 . . . . 0.0 111.053 -177.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.7 -49.41 70.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.223 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -75.66 -45.62 36.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.171 0.51 . . . . 0.0 110.087 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.546 HD23 ' HG2' ' A' ' 57' ' ' MET . 1.5 mm? -53.26 -44.09 67.92 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.085 -178.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.5 tp -48.92 -50.05 37.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.234 -175.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -88.33 3.18 50.64 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -172.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -121.7 4.78 10.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.249 0.547 . . . . 0.0 110.015 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.445 ' CD2' ' HB2' ' A' ' 67' ' ' GLN . 1.3 t80 -80.2 113.38 38.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.737 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.38 -12.13 27.14 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.834 2.356 . . . . 0.0 112.678 -175.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.445 ' HB2' ' CD2' ' A' ' 65' ' ' PHE . 47.8 mm-40 -74.07 -67.52 0.6 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -167.39 -178.91 4.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.043 0.449 . . . . 0.0 111.621 -173.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -109.73 138.49 46.01 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 169.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.553 ' CZ3' ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -141.73 160.45 40.15 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.056 -168.549 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.634 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 36.1 mt-30 -78.26 113.17 15.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.017 -171.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.8 m -92.23 140.81 15.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.739 -174.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.515 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -143.34 150.67 39.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.708 177.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.671 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 10.8 p -145.18 158.22 13.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -178.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.429 ' HB1' ' HB2' ' A' ' 79' ' ' GLN . . . -114.57 170.14 8.53 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 177.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -64.71 -67.21 0.45 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.997 0.427 . . . . 0.0 109.864 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.498 ' HG ' ' N ' ' A' ' 78' ' ' GLU . 2.5 pt? -174.45 -45.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.229 177.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.498 ' N ' ' HG ' ' A' ' 77' ' ' LEU . 36.6 tt0 -64.88 -38.41 90.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.261 -175.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.429 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . 21.4 mp0 -61.35 -27.76 68.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.412 -177.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.434 ' OG ' ' HB3' ' A' ' 41' ' ' LEU . 30.3 t -52.69 -36.7 57.71 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 123.237 0.336 . . . . 0.0 111.878 -175.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -70.87 -54.8 10.16 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.552 -178.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.19 -39.45 92.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.906 -178.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 67.5 mt -60.65 -44.45 97.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-O 121.175 0.512 . . . . 0.0 110.213 177.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.47 ' HA3' ' H ' ' A' ' 90' ' ' ARG . . . -71.32 -28.5 69.76 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.192 177.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -71.09 -28.88 64.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.941 0.401 . . . . 0.0 110.599 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -44.45 -36.56 2.96 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.901 175.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.583 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 0.1 OUTLIER -109.03 -75.04 0.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 170.571 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.583 ' HB2' ' O ' ' A' ' 87' ' ' PHE . 34.9 t-20 167.14 75.59 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.393 0.677 . . . . 0.0 109.983 172.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 96.0 t -141.1 -50.44 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.801 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.47 ' H ' ' HA3' ' A' ' 84' ' ' GLY . 99.6 mtt180 69.4 -158.75 0.17 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.12 -179.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.35 92.29 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.497 0.665 . . . . 0.0 112.656 -173.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -134.79 123.58 16.17 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 114.854 -1.066 . . . . 0.0 108.836 170.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.46 100.89 0.19 Allowed 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.432 2.088 . . . . 0.0 112.339 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -158.87 169.25 24.77 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.802 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 47.9 m -110.81 116.92 32.1 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.493 -178.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.431 ' O ' HG23 ' A' ' 38' ' ' VAL . 85.4 mt -96.85 124.72 40.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.847 0.356 . . . . 0.0 110.28 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.411 ' CG2' HD23 ' A' ' 107' ' ' LEU . 74.9 t -92.42 117.65 36.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.784 -177.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.414 ' CZ ' HD13 ' A' ' 103' ' ' LEU . 94.7 m-85 -113.21 105.45 13.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.331 179.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.636 ' OG1' ' HG3' ' A' ' 104' ' ' ARG . 62.3 p -133.55 167.12 21.05 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.434 ' HB2' ' O ' ' A' ' 99' ' ' THR . 11.5 m-20 68.47 9.07 7.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.722 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.22 8.18 81.96 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.537 -175.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -142.7 174.56 10.54 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 117.374 0.587 . . . . 0.0 112.2 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.414 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 58.9 tp -79.63 127.3 32.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.62 174.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.681 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 1.2 mmp_? -105.65 -47.09 3.99 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.385 -176.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.73 ' HA3' HD12 ' A' ' 123' ' ' ILE . . . -174.94 -164.96 30.53 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.358 -0.925 . . . . 0.0 112.555 -178.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -134.68 147.11 50.04 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.635 0.255 . . . . 0.0 111.055 -177.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.861 HD12 HD23 ' A' ' 116' ' ' LEU . 4.1 mm? -115.9 154.8 29.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.793 178.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.4 ' HB2' ' OE1' ' A' ' 115' ' ' GLU . 37.7 m -110.45 -63.72 1.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.698 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.519 ' HA2' ' HG ' ' A' ' 116' ' ' LEU . . . 80.03 -70.81 2.86 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 111.67 -0.572 . . . . 0.0 111.67 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 48.8 mt 67.12 -72.98 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.141 0.576 . . . . 0.0 110.95 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.691 ' HB2' ' HD3' ' A' ' 112' ' ' PRO . 27.3 m80 -152.25 -57.85 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.375 0 C-N-CA 122.576 0.35 . . . . 0.0 111.154 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.691 ' HD3' ' HB2' ' A' ' 111' ' ' HIS . 9.2 Cg_endo -88.87 149.0 5.86 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 122.511 2.14 . . . . 0.0 112.352 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.425 ' CH2' HD13 ' A' ' 61' ' ' LEU . 2.0 t-105 -80.4 35.89 0.35 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.172 0.51 . . . . 0.0 110.273 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.37 -48.69 15.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.472 -174.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.4 ' OE1' ' HB2' ' A' ' 108' ' ' SER . 0.0 OUTLIER -96.41 -22.47 17.14 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.871 -177.351 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.861 HD23 HD12 ' A' ' 107' ' ' LEU . 46.0 mt -53.22 -46.17 68.97 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.768 175.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.39 -44.15 95.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.003 0.43 . . . . 0.0 109.944 -179.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.2 m -67.33 -51.19 55.45 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.593 -178.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.71 -42.19 91.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 -176.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 54.9 ttp -56.04 -41.72 75.42 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.151 177.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -60.63 -39.62 88.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.016 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.5 t -76.12 -44.52 38.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.224 -178.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.73 HD12 ' HA3' ' A' ' 105' ' ' GLY . 51.3 mm -75.48 -49.2 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.33 -175.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.9 m -136.76 77.35 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.184 0.516 . . . . 0.0 110.386 -178.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 28.7 t70 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.366 178.918 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.5 tp . . . . . 0 CA--C 1.529 0.155 0 CA-C-O 120.766 0.317 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 27.1 t-105 -66.89 -43.2 84.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.924 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -59.87 -36.29 76.59 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.275 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.405 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 22.3 mmt180 -64.21 -28.78 69.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.983 -178.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.1 mt -68.16 -42.67 79.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.869 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.683 ' HA ' ' O ' ' A' ' 18' ' ' GLY . 11.3 mp -60.94 -26.13 67.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.718 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.3 m -62.7 -37.94 88.46 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 120.875 0.369 . . . . 0.0 110.264 178.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -80.06 -38.62 31.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.276 0.56 . . . . 0.0 110.134 174.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.683 ' O ' ' HA ' ' A' ' 15' ' ' LEU . . . 158.04 -108.09 0.35 Allowed Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 -178.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.432 ' HE3' ' HB ' ' A' ' 74' ' ' VAL . 25.2 m95 60.14 107.71 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.85 0.834 . . . . 0.0 112.417 173.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -94.32 113.78 61.68 Favored Pre-proline 0 C--N 1.31 -1.115 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.879 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.575 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 9.7 Cg_exo -68.58 109.88 2.17 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 122.2 1.934 . . . . 0.0 111.159 177.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.482 HG23 ' HB2' ' A' ' 75' ' ' ALA . 5.8 m -92.21 -177.96 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.653 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -141.81 167.66 21.6 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.389 -172.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.49 -38.08 41.72 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.203 176.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.8 m -80.2 -9.74 59.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.232 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 m -122.99 1.83 9.29 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -174.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.6 p -68.02 -37.56 78.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 O-C-N 121.994 -0.441 . . . . 0.0 111.308 -177.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -67.42 -48.85 66.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.399 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -71.57 -32.45 68.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.521 -176.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.517 ' O ' HG22 ' A' ' 34' ' ' VAL . 36.0 t90 -64.43 -49.9 69.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.59 0.233 . . . . 0.0 110.451 -179.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.43 HD11 ' CD1' ' A' ' 39' ' ' ILE . 45.9 mm -62.44 -38.68 81.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.185 0.517 . . . . 0.0 110.112 177.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -58.06 -38.76 76.94 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.026 176.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -80.93 -47.17 14.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.101 -171.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 30' ' ' TRP . 30.2 m -95.42 -46.6 13.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -175.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.22 -56.02 2.1 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 121.064 -0.589 . . . . 0.0 112.148 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -103.05 129.77 49.96 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.701 0.286 . . . . 0.0 110.771 -176.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.37 179.94 38.82 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.188 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.547 HG12 ' HA ' ' A' ' 97' ' ' VAL . 10.3 m -136.07 125.9 40.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.728 0.299 . . . . 0.0 111.491 -177.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.433 HG22 HD12 ' A' ' 41' ' ' LEU . 2.3 mp -98.15 121.05 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.403 ' HG ' ' OG1' ' A' ' 95' ' ' THR . 2.0 tt -89.98 113.22 24.84 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 175.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.433 HD12 HG22 ' A' ' 39' ' ' ILE . 7.9 mp -86.39 125.76 33.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.988 -177.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.579 ' HB3' ' HB3' ' A' ' 93' ' ' PRO . 35.3 t . . . . . 0 CA--C 1.53 0.205 0 O-C-N 124.067 0.854 . . . . 0.0 111.806 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 CA--C 1.529 0.142 0 CA-C-O 121.467 0.651 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.468 ' O ' ' HB2' ' A' ' 61' ' ' LEU . 60.5 mmm -56.78 -20.2 21.08 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.085 -0.961 . . . . 0.0 113.157 -177.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.532 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 5.2 mp -68.18 -21.61 26.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-O 120.995 0.426 . . . . 0.0 110.525 -176.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.28 -57.08 11.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.823 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -70.66 -30.29 66.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.717 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.532 ' HB2' ' HA ' ' A' ' 58' ' ' ILE . 0.6 OUTLIER -52.96 -33.13 49.63 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.515 -177.818 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 tt -46.43 -53.74 10.48 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.652 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -90.1 -3.04 58.15 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -178.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -74.86 -20.66 59.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.988 0.423 . . . . 0.0 109.894 174.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.517 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 4.9 t80 -74.54 116.97 58.35 Favored Pre-proline 0 N--CA 1.451 -0.396 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.517 ' HD3' ' HA ' ' A' ' 65' ' ' PHE . 2.8 Cg_exo -75.79 16.06 0.82 Allowed 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 123.55 2.834 . . . . 0.0 113.445 -174.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -109.9 -69.53 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -153.7 167.34 29.91 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -172.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -86.67 109.7 19.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.582 174.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -105.9 158.31 16.86 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.032 0.444 . . . . 0.0 111.267 178.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -76.33 110.0 10.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.396 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.9 t -76.12 118.98 23.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.039 175.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.478 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -118.33 143.58 46.5 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.93 -178.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.575 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 3.2 p -126.76 131.75 70.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.802 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.482 ' HB2' HG23 ' A' ' 22' ' ' VAL . . . -112.67 144.65 41.81 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.911 0.386 . . . . 0.0 111.26 -177.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.494 ' HB3' ' OE1' ' A' ' 79' ' ' GLN . 14.1 t70 -67.16 154.1 42.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.038 175.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.543 HD12 ' N ' ' A' ' 78' ' ' GLU . 2.6 pp -59.76 -31.01 69.26 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -175.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.543 ' N ' HD12 ' A' ' 77' ' ' LEU . 29.9 tt0 -73.47 -45.71 52.55 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.214 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.494 ' OE1' ' HB3' ' A' ' 76' ' ' ASP . 1.5 mp0 -64.33 -35.09 79.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.727 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.8 m -61.99 -29.01 69.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.922 -178.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -65.74 -44.25 86.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.034 0.445 . . . . 0.0 110.234 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.14 -41.84 66.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.721 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 84.7 mt -59.37 -43.4 90.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.184 0.516 . . . . 0.0 110.135 176.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.568 ' HA2' HG12 ' A' ' 89' ' ' VAL . . . -67.4 -28.39 73.64 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.66 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -77.03 -31.61 56.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.818 0.342 . . . . 0.0 110.906 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -44.92 -45.6 10.48 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.493 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -124.03 11.41 8.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.196 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 66.7 t30 56.21 68.18 0.9 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.788 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.568 HG12 ' HA2' ' A' ' 84' ' ' GLY . 6.5 p -110.32 12.26 8.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.138 178.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -55.18 101.41 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.445 -177.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -149.22 -69.93 0.21 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.525 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -149.99 154.02 36.41 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.28 177.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.579 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 32.0 Cg_exo -59.19 116.99 3.66 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.582 2.188 . . . . 0.0 111.833 177.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -140.71 171.79 13.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.554 -176.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.494 HG22 ' HB ' ' A' ' 38' ' ' VAL . 10.1 m -108.05 120.71 43.1 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 176.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.415 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 94.3 mt -91.57 134.01 35.04 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 120.704 -0.399 . . . . 0.0 111.108 -174.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.547 ' HA ' HG12 ' A' ' 38' ' ' VAL . 67.1 t -98.64 114.2 35.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.919 -176.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.427 ' CE1' HD13 ' A' ' 39' ' ' ILE . 44.3 m-85 -109.36 120.98 44.16 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.549 179.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.2 p -124.31 127.16 47.21 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.256 178.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.3 t70 68.09 10.88 8.1 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.553 0.692 . . . . 0.0 110.31 -177.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 93.61 -5.97 73.96 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.441 -174.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -100.3 133.85 44.11 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 120.914 0.388 . . . . 0.0 110.447 -178.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 61.2 tp -86.51 108.61 18.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.874 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.9 mtp180 -94.24 -35.0 12.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.564 -177.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -175.83 -154.57 11.63 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 119.999 -1.096 . . . . 0.0 113.105 -177.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -133.46 161.34 34.84 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.908 0.385 . . . . 0.0 111.111 -176.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 107' ' ' LEU . 0.2 OUTLIER -98.17 74.86 2.26 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.459 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 45.7 m -155.67 137.23 14.15 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.057 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -157.41 -159.1 9.31 Favored Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.81 -0.709 . . . . 0.0 111.781 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.515 ' O ' ' HB2' ' A' ' 111' ' ' HIS . 41.2 mm -101.27 144.49 12.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.515 ' HB2' ' O ' ' A' ' 110' ' ' ILE . 81.2 m-70 79.13 151.15 0.12 Allowed Pre-proline 0 N--CA 1.47 0.558 0 O-C-N 123.988 0.805 . . . . 0.0 110.538 -174.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 111' ' ' HIS . 5.3 Cg_exo -76.07 4.86 4.92 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 123.026 2.484 . . . . 0.0 113.092 -178.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 29.6 t-105 -176.15 176.7 1.68 Allowed 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 177.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 74.91 18.96 2.51 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.994 0.809 . . . . 0.0 110.512 -178.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.5 -39.46 9.14 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.011 179.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 70.1 mt -50.73 -44.78 58.33 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.041 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -56.93 -42.87 80.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.068 0.461 . . . . 0.0 111.24 -176.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.3 m -77.53 -37.39 51.01 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.984 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 91.2 mt -71.56 -43.37 66.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.575 -177.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 26.2 ptm -61.49 -42.76 99.29 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.884 -176.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.456 ' HA ' ' HB2' ' A' ' 125' ' ' ASP . 8.1 mmm180 -52.09 -44.34 64.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.016 0.436 . . . . 0.0 111.38 -178.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 42.4 t -76.54 -53.71 7.69 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.984 178.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.601 HG22 HG23 ' A' ' 124' ' ' VAL . 61.8 mt -88.62 -52.0 11.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -167.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.601 HG23 HG22 ' A' ' 123' ' ' ILE . 21.3 t -139.37 77.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.166 0.508 . . . . 0.0 110.427 -175.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.456 ' HB2' ' HA ' ' A' ' 121' ' ' ARG . 36.1 t70 . . . . . 0 C--N 1.321 -0.668 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.708 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.57 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 47.4 tp . . . . . 0 CA--C 1.531 0.23 0 N-CA-C 111.422 0.156 . . . . 0.0 111.422 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.4 ' CH2' HG13 ' A' ' 74' ' ' VAL . 0.7 OUTLIER -55.14 -39.76 69.81 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.961 0.41 . . . . 0.0 110.613 178.784 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -63.21 -40.56 97.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.805 0.336 . . . . 0.0 110.271 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -69.62 -41.45 75.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.039 177.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 86.6 mt -60.93 -44.83 96.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.571 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.98 -27.05 68.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.809 178.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 54.7 m -75.26 -27.08 59.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -140.66 97.18 3.15 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.601 -0.439 . . . . 0.0 112.038 -173.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.9 -63.77 1.49 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.775 -0.726 . . . . 0.0 114.228 169.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.402 ' CG ' ' HB3' ' A' ' 14' ' ' LEU . 32.2 m95 -60.53 125.0 22.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.323 0.583 . . . . 0.0 111.964 -171.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.412 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 78.4 mt-30 -102.01 125.98 35.13 Favored Pre-proline 0 N--CA 1.449 -0.505 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.203 -177.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.758 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 10.8 Cg_exo -70.69 119.52 6.4 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.635 2.223 . . . . 0.0 111.339 172.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.423 HG21 HG13 ' A' ' 39' ' ' ILE . 10.9 m -105.51 166.28 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.43 0.633 . . . . 0.0 112.001 -177.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.463 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 41.9 mt-10 -139.94 162.1 36.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.525 -174.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.43 ' HB2' ' HA ' ' A' ' 83' ' ' ILE . . . -70.13 -18.32 63.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.049 0.452 . . . . 0.0 111.384 -178.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.8 p -84.12 -61.53 1.79 Allowed 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.281 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.0 t -71.11 -18.92 62.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.994 -175.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.463 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 8.2 p -62.6 -26.86 41.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-O 120.722 0.296 . . . . 0.0 110.955 -177.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.414 ' HB2' ' NH2' ' A' ' 86' ' ' ARG . 10.3 t70 -61.85 -49.57 75.71 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.205 0.526 . . . . 0.0 110.045 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.519 ' O ' ' HB2' ' A' ' 33' ' ' ARG . 28.9 t70 -75.54 -36.7 60.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.192 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.441 ' O ' HG22 ' A' ' 34' ' ' VAL . 64.8 t90 -59.33 -51.39 70.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.13 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.7 mm -60.49 -46.32 95.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.955 0.407 . . . . 0.0 110.809 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.448 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -68.24 -21.65 64.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.804 -179.251 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.519 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -77.45 -36.85 52.58 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.255 -177.045 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 30' ' ' TRP . 6.3 m -105.51 -46.98 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.897 -177.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.3 -36.11 4.6 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.426 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.451 ' OD2' ' HA ' ' A' ' 70' ' ' TRP . 10.1 p-10 -126.23 156.96 39.45 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 122.396 0.278 . . . . 0.0 110.289 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.59 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . 149.39 -178.61 26.8 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.913 176.27 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 97' ' ' VAL . 12.1 m -138.19 133.96 44.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.922 0.392 . . . . 0.0 111.368 -179.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.477 HD13 ' CE1' ' A' ' 98' ' ' PHE . 1.9 mp -106.6 117.01 51.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 174.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.519 ' HB3' HG23 ' A' ' 74' ' ' VAL . 1.8 tt -93.48 123.91 37.11 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 93' ' ' PRO . 9.2 mp -91.03 123.67 34.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.707 -0.224 . . . . 0.0 110.467 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.9 t . . . . . 0 CA--C 1.532 0.28 0 O-C-N 123.917 0.761 . . . . 0.0 110.646 -179.543 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.9 t . . . . . 0 CA--C 1.532 0.262 0 CA-C-O 121.616 0.722 . . . . 0.0 109.866 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -58.39 -37.37 75.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.382 -0.827 . . . . 0.0 111.865 -173.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.569 ' H ' HD12 ' A' ' 58' ' ' ILE . 4.3 mp -63.71 -31.99 55.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.419 -171.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.35 -52.52 63.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.338 . . . . 0.0 111.237 -177.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -75.48 -29.64 59.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.987 0.422 . . . . 0.0 110.09 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 28.1 tp -52.56 -44.11 65.64 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.37 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 64.6 tp -50.04 -40.04 43.76 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.684 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -86.94 -28.47 22.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.493 -177.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -76.87 -38.04 54.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.007 -178.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.02 110.21 2.79 Favored Pre-proline 0 CA--C 1.529 0.147 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.982 -175.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -86.3 0.26 8.13 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.724 2.283 . . . . 0.0 112.721 -175.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -78.87 -48.5 14.55 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.799 -177.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.456 ' HE1' ' CE3' ' A' ' 70' ' ' TRP . 0.1 OUTLIER -172.52 162.58 5.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.347 -179.444 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -92.45 83.89 5.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.534 174.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.59 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . 0.1 OUTLIER -76.53 159.19 30.57 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.294 0.568 . . . . 0.0 112.108 -177.186 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -77.96 113.49 15.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.261 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 63.8 t -90.62 122.43 41.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.603 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.405 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -138.59 157.97 45.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.723 178.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.758 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 4.1 p -145.14 145.48 20.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -177.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.406 ' HB1' ' HB2' ' A' ' 79' ' ' GLN . . . -88.68 147.13 24.67 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.712 178.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -53.78 -74.62 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.299 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.2 tp -168.73 -62.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.614 176.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -61.36 -33.48 73.71 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.022 0.439 . . . . 0.0 110.205 175.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.493 ' O ' HG13 ' A' ' 83' ' ' ILE . 91.6 mt-30 -59.69 -37.12 77.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.648 178.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.9 m -61.89 -31.25 71.52 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.337 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.769 ' HG3' ' HD3' ' A' ' 91' ' ' ARG . 38.5 tt0 -63.9 -41.52 97.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.163 -179.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.23 -36.85 66.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.756 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 79' ' ' GLN . 68.7 mt -63.23 -42.58 96.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.15 -36.53 92.51 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.513 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -72.15 -31.79 66.3 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.182 0.515 . . . . 0.0 110.691 -178.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.414 ' NH2' ' HB2' ' A' ' 28' ' ' ASP . 9.6 tpt85 -49.19 -40.96 35.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.975 -1.012 . . . . 0.0 111.524 -177.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.424 ' HD1' HG23 ' A' ' 89' ' ' VAL . 2.9 p90 -124.29 17.41 9.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.626 -179.059 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 47.2 t30 60.41 76.75 0.35 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.498 176.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.424 HG23 ' HD1' ' A' ' 87' ' ' PHE . 86.2 t -143.04 143.31 25.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 172.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -67.24 157.34 34.07 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.739 0.304 . . . . 0.0 110.462 178.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.769 ' HD3' ' HG3' ' A' ' 81' ' ' GLU . 18.4 mtm180 -75.19 90.76 2.57 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.171 0.51 . . . . 0.0 111.451 -172.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -122.71 146.02 46.81 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.098 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.416 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 55.3 Cg_endo -72.17 106.8 2.11 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.308 2.006 . . . . 0.0 111.721 176.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.452 ' HA ' ' HA ' ' A' ' 108' ' ' SER . . . -155.19 156.14 35.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.492 -178.086 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.443 HG22 ' HB ' ' A' ' 38' ' ' VAL . 8.2 m -101.88 125.71 48.62 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.887 177.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.564 HD23 ' HB2' ' A' ' 106' ' ' ALA . 39.7 mt -91.74 131.16 37.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.456 -179.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.495 ' HA ' HG12 ' A' ' 38' ' ' VAL . 95.0 t -93.85 117.91 38.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.66 179.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.54 ' HE1' ' HB2' ' A' ' 96' ' ' LEU . 87.0 m-85 -115.51 122.84 46.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.794 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.1 p -137.38 155.63 49.15 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 172.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 67.31 10.8 8.0 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.969 0.414 . . . . 0.0 110.959 177.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 76.94 15.01 82.03 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.909 -0.662 . . . . 0.0 111.757 -173.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -128.65 164.08 23.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.954 0.407 . . . . 0.0 110.808 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.438 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 61.0 tp -90.75 125.4 35.68 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.288 -179.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.44 ' HB3' HG23 ' A' ' 123' ' ' ILE . 33.0 mmt180 -92.02 -40.47 11.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.01 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 169.44 -173.01 43.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.211 -0.995 . . . . 0.0 112.644 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.564 ' HB2' HD23 ' A' ' 96' ' ' LEU . . . -128.91 138.58 52.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.881 0.372 . . . . 0.0 111.475 -178.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -122.89 124.63 43.68 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 174.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.452 ' HA ' ' HA ' ' A' ' 94' ' ' ALA . 10.6 p -77.39 -78.91 0.12 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.791 0.329 . . . . 0.0 111.755 -177.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -154.97 73.07 0.25 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.88 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 9.4 tp -67.92 140.26 19.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.042 0.449 . . . . 0.0 110.765 -177.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.618 ' HB2' ' HD3' ' A' ' 112' ' ' PRO . 33.3 m80 -110.44 -51.15 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.448 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.618 ' HD3' ' HB2' ' A' ' 111' ' ' HIS . 34.0 Cg_exo -61.91 152.96 71.67 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 122.067 1.845 . . . . 0.0 112.115 175.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -122.47 -169.39 1.89 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 70.91 -54.11 0.66 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.24 0.616 . . . . 0.0 111.494 -177.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.41 -24.51 67.44 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.065 0.46 . . . . 0.0 110.74 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.0 mt -56.28 -31.76 63.93 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.509 177.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.31 -39.4 86.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.644 0.259 . . . . 0.0 110.837 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 32.3 m -68.46 -44.08 75.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.668 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 91.3 mt -68.94 -43.96 74.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.771 -179.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 47.4 ttp -61.5 -33.93 74.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.808 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.448 ' O ' ' HB2' ' A' ' 125' ' ' ASP . 7.4 tpt180 -59.68 -43.82 93.86 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -177.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 40.6 m -68.42 -29.86 68.62 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-O 120.997 0.427 . . . . 0.0 111.207 178.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.44 HG23 ' HB3' ' A' ' 104' ' ' ARG . 75.2 mt -74.49 -49.82 29.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.999 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 4.4 m -132.8 74.14 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.568 0.699 . . . . 0.0 110.893 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 121' ' ' ARG . 30.2 t70 . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.636 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.664 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 4.4 mm? . . . . . 0 N--CA 1.456 -0.166 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -57.57 -44.56 85.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.527 175.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -70.02 -35.28 74.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.452 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -63.29 -36.56 84.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.731 177.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 95.1 mt -60.32 -42.95 96.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.596 178.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 18' ' ' GLY . 96.7 mt -60.07 -34.51 73.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.185 -179.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.5 m -66.15 -25.86 67.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.919 178.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -108.41 22.29 16.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.484 0.659 . . . . 0.0 110.122 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 15' ' ' LEU . . . 106.59 -126.96 8.68 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.165 178.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.3 m95 67.47 129.61 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.594 0.712 . . . . 0.0 111.887 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -111.54 113.63 53.24 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.445 178.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.634 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 24.8 Cg_exo -64.64 104.86 0.58 Allowed 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 122.268 1.979 . . . . 0.0 110.777 171.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.525 HG21 HG13 ' A' ' 39' ' ' ILE . 2.6 m -82.01 170.52 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -178.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.629 ' HG2' HE22 ' A' ' 79' ' ' GLN . 38.1 mt-10 -138.0 159.62 41.54 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.821 -174.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.52 -6.97 59.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.277 0.56 . . . . 0.0 109.958 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 m -77.76 -43.22 31.46 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.365 -177.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.3 p -116.84 8.36 13.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.843 -174.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.493 ' O ' HG12 ' A' ' 31' ' ' ILE . 7.4 p -54.38 -42.92 60.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.608 -177.121 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.94 -47.61 85.08 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.764 -178.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -75.11 -38.38 61.17 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 -177.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.568 ' O ' HG22 ' A' ' 34' ' ' VAL . 72.0 t90 -59.1 -49.45 77.81 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -178.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 27' ' ' VAL . 43.6 mm -56.81 -45.69 83.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 121.044 0.45 . . . . 0.0 110.815 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.434 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -68.16 -32.7 73.15 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.085 -179.62 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -44.43 37.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.019 -176.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.568 HG22 ' O ' ' A' ' 30' ' ' TRP . 34.6 m -84.71 -37.02 12.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.328 -177.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.7 -48.41 2.3 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.28 177.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -125.62 167.37 15.18 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.635 0.255 . . . . 0.0 110.499 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.85 177.03 15.75 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.318 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.5 m -135.81 127.4 44.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.954 0.407 . . . . 0.0 111.274 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.525 HG13 HG21 ' A' ' 22' ' ' VAL . 2.1 mp -96.1 111.76 26.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 172.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.53 HD12 HG23 ' A' ' 74' ' ' VAL . 2.8 tm? -89.59 109.69 20.62 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 177.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.3 mp -75.46 148.42 39.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.701 176.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.42 ' OG ' ' HA ' ' A' ' 77' ' ' LEU . 4.0 m . . . . . 0 C--N 1.328 -0.335 0 O-C-N 123.303 0.377 . . . . 0.0 110.081 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.6 t . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.538 ' O ' ' HB2' ' A' ' 61' ' ' LEU . 24.7 mmt -106.08 -27.58 11.03 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -176.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.449 ' N ' HD12 ' A' ' 58' ' ' ILE . 3.2 mp -80.88 -61.77 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -168.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.75 -34.2 71.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.556 0.693 . . . . 0.0 110.427 -176.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -66.64 -30.86 71.23 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.369 179.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.538 ' HB2' ' O ' ' A' ' 57' ' ' MET . 36.6 tp -61.75 -53.07 60.93 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 121.452 0.644 . . . . 0.0 109.845 174.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.06 -37.27 76.63 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.844 -1.071 . . . . 0.0 111.086 -178.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -52.84 -31.38 38.84 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.636 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 10.0 pt-20 -123.25 26.89 7.78 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.896 -179.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.71 101.68 7.42 Favored Pre-proline 0 C--N 1.331 -0.197 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.313 172.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.636 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 9.8 Cg_endo -90.14 11.28 2.8 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.408 2.739 . . . . 0.0 110.932 177.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.85 -53.58 8.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.184 -179.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -173.45 177.78 2.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.195 -178.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -113.92 141.05 47.86 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 176.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.422 ' CD1' ' N ' ' A' ' 70' ' ' TRP . 0.1 OUTLIER -151.42 165.74 33.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.998 0.428 . . . . 0.0 111.771 -173.351 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.451 HE21 ' HB ' ' A' ' 34' ' ' VAL . 2.6 mp0 -73.49 114.54 11.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.329 -174.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.9 t -89.21 116.52 30.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.999 175.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.506 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -127.58 159.39 34.78 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.174 -176.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.634 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 12.7 p -144.78 149.6 16.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.181 -178.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.71 157.14 16.91 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 176.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.25 -83.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.53 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.42 ' HA ' ' OG ' ' A' ' 42' ' ' SER . 55.6 tp -160.76 -49.24 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.182 0.515 . . . . 0.0 109.691 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -65.67 -47.37 75.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.503 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.629 HE22 ' HG2' ' A' ' 23' ' ' GLU . 36.2 mt-30 -69.19 -22.48 63.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.37 -173.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.3 t -50.07 -40.82 46.51 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.813 0.339 . . . . 0.0 110.855 176.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -69.9 -43.47 71.68 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.6 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.04 -42.39 84.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.604 -177.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.507 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 74.9 mt -66.04 -40.51 87.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 110.269 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.0 -44.09 97.9 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.475 -0.869 . . . . 0.0 111.772 177.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -68.31 -30.39 69.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 0.0 110.876 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.507 ' HB3' ' O ' ' A' ' 83' ' ' ILE . 2.8 tpm_? -45.98 -40.29 10.21 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.859 175.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -96.7 -78.69 0.46 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 175.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 177.06 21.49 0.0 OUTLIER 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.154 176.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 33.9 t -103.1 96.17 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -175.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -127.85 32.94 4.87 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.428 -174.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -113.05 -79.33 0.58 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.681 178.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.487 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 97.5 m-85 -124.22 138.18 30.39 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.101 -179.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' A' ' 92' ' ' PHE . 7.8 Cg_exo -74.79 153.12 42.67 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 123.232 2.621 . . . . 0.0 112.406 -178.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -158.04 -172.19 3.81 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.063 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.538 ' HB ' ' HB3' ' A' ' 107' ' ' LEU . 7.2 m -97.6 117.17 31.28 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 93.3 mt -92.17 128.92 38.2 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.926 0.393 . . . . 0.0 110.842 -176.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.411 HG13 ' HZ3' ' A' ' 70' ' ' TRP . 67.2 t -94.18 114.66 31.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.813 -176.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.439 ' CE1' HD13 ' A' ' 39' ' ' ILE . 95.5 m-85 -112.44 126.62 55.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.32 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.519 ' OG1' ' HG3' ' A' ' 104' ' ' ARG . 0.7 OUTLIER -146.18 142.93 28.92 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.676 176.486 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 66.89 12.75 9.11 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.622 0.576 . . . . 0.0 110.966 -178.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.89 5.73 83.32 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.531 -177.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -121.09 152.37 38.75 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 122.472 -0.428 . . . . 0.0 111.075 178.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.408 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 56.0 tp -77.92 113.15 15.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.416 175.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.519 ' HG3' ' OG1' ' A' ' 99' ' ' THR . 16.8 mmt85 -96.98 -16.24 20.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.976 -173.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 163.77 -172.41 39.65 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 119.875 -1.155 . . . . 0.0 112.886 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -127.55 142.26 51.42 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.538 ' HB3' ' HB ' ' A' ' 95' ' ' THR . 1.8 tm? -89.64 96.43 10.69 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.725 -177.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 65.6 m -81.34 86.95 6.18 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 174.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -78.9 99.18 1.64 Allowed Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.811 -176.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.479 ' O ' ' HB2' ' A' ' 111' ' ' HIS . 46.8 mm -70.27 -74.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 175.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.557 ' HB3' ' HD3' ' A' ' 112' ' ' PRO . 1.6 t60 173.93 -53.01 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.339 0 O-C-N 123.665 0.603 . . . . 0.0 110.422 173.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.557 ' HD3' ' HB3' ' A' ' 111' ' ' HIS . 26.8 Cg_exo -64.15 146.67 90.92 Favored 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 122.19 1.927 . . . . 0.0 111.968 176.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.487 ' CH2' HD12 ' A' ' 61' ' ' LEU . 3.6 t-105 -95.64 -140.16 0.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.011 -177.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 69.37 -70.87 0.13 Allowed 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.52 0.728 . . . . 0.0 111.909 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -65.96 -26.38 67.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 -177.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 7.3 mt -56.37 -37.16 69.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.983 175.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -64.8 -44.83 88.66 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.3 m -62.46 -51.22 68.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.43 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.07 -49.88 70.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.711 -178.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.502 ' HA ' ' CE ' ' A' ' 120' ' ' MET . 20.8 mmt -64.82 -29.42 70.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.328 -178.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -55.43 -34.47 64.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.98 0.419 . . . . 0.0 111.276 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.0 m -71.4 -30.31 65.96 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.436 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 49.6 mm -91.07 -49.05 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.634 -175.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.2 m -112.03 68.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.804 0.811 . . . . 0.0 110.781 -177.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.3 t70 . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.589 175.34 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 11' ' ' TRP . 4.1 pp . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.965 0.412 . . . . 0.0 111.386 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.436 ' N ' HD12 ' A' ' 10' ' ' LEU . 41.1 t-105 -64.51 -31.41 72.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.002 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -64.24 -35.77 81.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.371 177.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -67.66 -39.74 84.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.61 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.3 mt -66.38 -40.61 89.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.359 178.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -67.45 -26.61 66.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.606 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.2 m -63.95 -48.92 74.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.389 177.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -166.82 108.01 0.66 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.215 0.531 . . . . 0.0 110.691 176.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 156.8 -95.56 0.15 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.663 178.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.48 ' CE3' HG11 ' A' ' 74' ' ' VAL . 45.3 m0 -90.38 134.41 34.35 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.871 0.367 . . . . 0.0 111.854 -175.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -98.36 119.81 60.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.816 173.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.521 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 74.1 Cg_endo -76.32 108.69 2.72 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.412 2.075 . . . . 0.0 111.537 177.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.0 m -100.59 -176.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.4 0.619 . . . . 0.0 112.145 -175.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.627 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 44.9 mt-10 -143.42 174.12 11.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.872 -174.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.77 -28.67 19.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.931 0.396 . . . . 0.0 110.659 177.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 m -72.24 -2.78 20.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.364 -173.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.7 t -155.57 17.56 0.39 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.732 0.301 . . . . 0.0 111.348 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.627 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 7.1 p -68.35 -39.49 80.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.898 0.38 . . . . 0.0 111.025 -177.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -73.23 -27.76 61.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -77.92 -37.83 46.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.863 0.363 . . . . 0.0 110.072 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.416 ' O ' HG22 ' A' ' 34' ' ' VAL . 49.0 t90 -65.71 -49.48 68.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.449 179.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.432 HD11 HD11 ' A' ' 39' ' ' ILE . 27.3 mm -59.9 -37.25 71.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.978 0.418 . . . . 0.0 110.525 177.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.441 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 1.2 tmmt? -61.39 -34.03 74.66 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.896 177.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 33' ' ' ARG . 26.5 ttt180 -81.05 -46.62 14.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.006 0.431 . . . . 0.0 111.578 -178.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.468 ' HB ' ' NE2' ' A' ' 71' ' ' GLN . 35.3 m -81.43 -33.31 12.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.25 -175.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.19 -53.57 4.64 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 111.932 -0.467 . . . . 0.0 111.932 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -122.73 127.57 49.38 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.715 0.293 . . . . 0.0 110.64 -176.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.8 176.82 44.34 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.118 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' ' 97' ' ' VAL . 15.8 m -134.32 142.33 41.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.714 0.257 . . . . 0.0 111.084 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.47 HG22 HD12 ' A' ' 41' ' ' LEU . 2.4 mp -111.83 119.85 60.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 175.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 tt -95.2 119.92 34.53 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.47 HD12 HG22 ' A' ' 39' ' ' ILE . 8.2 mp -93.43 139.54 30.58 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.518 0.192 . . . . 0.0 111.518 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.9 m . . . . . 0 N--CA 1.469 0.495 0 O-C-N 124.089 0.868 . . . . 0.0 112.15 173.874 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.4 t . . . . . 0 CA--C 1.532 0.266 0 CA-C-O 121.198 0.523 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.6 mmt -55.79 -34.16 65.05 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.563 -178.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.9 mp -64.87 -35.16 74.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.73 0.3 . . . . 0.0 111.112 -177.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.69 98.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.007 0.432 . . . . 0.0 111.054 -178.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -75.49 -41.44 55.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.358 0.599 . . . . 0.0 109.963 178.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.564 HD11 HD21 ' A' ' 116' ' ' LEU . 1.3 tt -63.51 -46.96 83.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.368 -175.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.553 ' HG ' ' HB ' ' A' ' 72' ' ' VAL . 0.3 OUTLIER -63.45 -33.88 76.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.033 -172.277 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 63' ' ' ARG . 23.7 mtp180 -79.08 -8.08 58.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.557 -177.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -97.98 -87.53 0.33 Allowed 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.038 178.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 24.72 87.57 0.08 OUTLIER Pre-proline 0 N--CA 1.467 0.422 0 O-C-N 124.781 1.301 . . . . 0.0 113.425 -174.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.21 -11.97 33.62 Favored 'Trans proline' 0 CA--C 1.529 0.244 0 C-N-CA 122.631 2.221 . . . . 0.0 112.441 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -73.57 -59.04 2.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.995 -178.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -161.7 -178.5 6.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.432 -176.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -112.55 140.06 47.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.557 179.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -152.76 171.59 18.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.911 -177.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.468 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 2.0 mp0 -86.05 146.51 26.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.972 0.415 . . . . 0.0 111.328 -177.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.553 ' HB ' ' HG ' ' A' ' 62' ' ' LEU . 5.4 p -114.04 129.58 69.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.31 178.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -133.08 141.67 48.32 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.141 0.496 . . . . 0.0 111.217 -177.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.521 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 16.5 m -131.67 158.52 43.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.265 179.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -140.44 144.37 36.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.028 0.442 . . . . 0.0 111.463 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -67.49 163.31 21.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.002 179.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.2 tt -60.25 -36.83 78.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.25 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.26 -38.58 89.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.271 0.557 . . . . 0.0 110.417 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.423 ' O ' HG13 ' A' ' 83' ' ' ILE . 15.0 mm100 -76.29 -31.08 58.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.111 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.1 t -52.54 -46.03 66.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.174 -174.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -57.78 -46.7 84.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 -177.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.14 -36.16 77.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.164 -178.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 79' ' ' GLN . 65.7 mt -65.66 -39.68 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.007 0.432 . . . . 0.0 110.439 179.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.443 ' HA2' ' HB ' ' A' ' 89' ' ' VAL . . . -61.69 -28.01 69.21 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.233 176.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -77.86 -37.02 49.22 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.203 0.525 . . . . 0.0 110.244 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.406 ' HG2' ' CG1' ' A' ' 27' ' ' VAL . 25.8 tpt180 -52.12 -48.4 64.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.723 -1.126 . . . . 0.0 112.217 -173.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -131.96 21.46 4.54 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.776 -177.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 58.8 t30 71.56 80.72 0.15 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.937 170.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.443 ' HB ' ' HA2' ' A' ' 84' ' ' GLY . 65.8 t -112.11 102.43 13.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.914 174.119 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.71 -179.82 3.86 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 175.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.5 ' O ' ' HB2' ' A' ' 92' ' ' PHE . 10.3 tpt180 64.99 31.08 11.51 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 123.506 0.504 . . . . 0.0 110.587 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.5 ' HB2' ' O ' ' A' ' 91' ' ' ARG . 79.4 m-85 77.73 149.6 0.12 Allowed Pre-proline 0 N--CA 1.47 0.557 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.704 179.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -70.26 165.93 29.9 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.194 2.596 . . . . 0.0 113.408 -176.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -163.3 -161.6 0.68 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.454 -177.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.9 m -109.87 115.61 30.13 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 176.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.523 ' HA ' ' HA ' ' A' ' 106' ' ' ALA . 6.3 mp -94.07 143.18 26.59 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.989 0.423 . . . . 0.0 111.196 -175.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.509 ' HA ' HG12 ' A' ' 38' ' ' VAL . 58.6 t -101.64 115.4 43.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.75 -175.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.486 ' CZ ' HD13 ' A' ' 103' ' ' LEU . 49.7 m-85 -113.31 112.53 23.85 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.965 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 70.0 p -133.12 153.6 51.37 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 67.43 16.95 10.08 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 123.29 0.369 . . . . 0.0 110.644 178.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 76.68 7.56 85.89 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.963 -176.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -125.86 156.68 39.23 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 121.021 0.439 . . . . 0.0 111.032 -177.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.486 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 51.3 tp -80.31 110.97 16.25 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -88.13 -29.6 20.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.059 -177.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 166.24 -158.4 31.31 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.189 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.523 ' HA ' ' HA ' ' A' ' 96' ' ' LEU . . . -138.48 158.44 44.27 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 107' ' ' LEU . 0.2 OUTLIER -102.09 91.21 4.23 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -179.012 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.3 m -120.89 93.45 4.03 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.936 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.645 ' HA3' ' HG3' ' A' ' 115' ' ' GLU . . . -132.09 162.46 23.92 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.013 -178.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 17.7 tt -117.92 -11.02 11.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.307 0.575 . . . . 0.0 110.764 -177.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.512 ' O ' ' HG2' ' A' ' 115' ' ' GLU . 72.8 m-70 -99.99 131.3 24.58 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.46 177.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.27 107.38 0.36 Allowed 'Trans proline' 0 CA--C 1.529 0.241 0 C-N-CA 122.783 2.322 . . . . 0.0 112.585 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 74.0 -38.78 0.41 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.896 0.878 . . . . 0.0 112.529 175.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.58 -30.95 44.72 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -175.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.645 ' HG3' ' HA3' ' A' ' 109' ' ' GLY . 4.4 mm-40 -62.77 -30.64 71.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 110.985 -178.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.564 HD21 HD11 ' A' ' 61' ' ' LEU . 64.5 mt -63.62 -32.76 74.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.272 -178.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.461 ' O ' ' HB2' ' A' ' 121' ' ' ARG . 0.2 OUTLIER -59.84 -38.36 81.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.72 -177.275 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.6 m -88.35 -51.14 5.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.443 178.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.413 ' O ' HG13 ' A' ' 123' ' ' ILE . 93.9 mt -64.78 -50.09 68.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.911 -173.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 55.6 ttp -65.83 -33.8 76.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.923 0.392 . . . . 0.0 110.3 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 73.7 ttt180 -58.65 -41.34 85.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.301 178.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 24.8 t -75.48 -42.96 51.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.023 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 119' ' ' LEU . 84.9 mt -62.07 -49.35 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.302 -177.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 11.8 m -121.31 70.67 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.931 0.872 . . . . 0.0 110.591 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 24.2 t70 . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.61 -179.873 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.523 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 47.3 tp . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.73 0.3 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.55 ' CZ3' ' HG3' ' A' ' 21' ' ' PRO . 0.7 OUTLIER -58.55 -41.84 86.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.215 177.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -64.81 -38.23 90.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.816 0.341 . . . . 0.0 110.329 -178.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -73.12 -28.17 62.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.23 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 58.1 mt -68.82 -53.47 21.32 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.532 177.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.7 mp -53.58 -24.69 14.54 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -177.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.9 m -53.37 -39.55 64.3 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 178.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -157.13 -34.5 0.08 Allowed 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 -174.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 19' ' ' TRP . . . -136.29 149.14 20.01 Favored Glycine 0 C--O 1.225 -0.442 0 C-N-CA 119.912 -1.137 . . . . 0.0 113.365 -172.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.423 ' HB2' ' O ' ' A' ' 18' ' ' GLY . 60.8 m95 74.18 109.81 0.07 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.819 0.819 . . . . 0.0 110.86 -176.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.559 ' NE2' ' HD2' ' A' ' 21' ' ' PRO . 32.4 tp60 -114.09 117.06 44.18 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.898 -176.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.685 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 37.0 Cg_exo -55.25 121.71 10.4 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.268 1.978 . . . . 0.0 111.519 175.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.607 HG21 HG23 ' A' ' 39' ' ' ILE . 1.2 m -84.93 175.52 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.237 0.542 . . . . 0.0 111.37 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.587 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 40.7 mt-10 -136.66 176.14 8.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.675 -174.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.72 -29.94 15.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.117 0.484 . . . . 0.0 110.85 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 m -83.23 -44.51 14.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.197 -177.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.407 ' OG1' ' HB2' ' A' ' 23' ' ' GLU . 20.8 p -91.71 -4.25 55.31 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -172.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.587 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 10.8 p -60.4 -37.71 75.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 120.705 0.288 . . . . 0.0 111.217 -176.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -62.55 -45.88 90.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.227 0.537 . . . . 0.0 110.314 -178.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 22.9 t70 -74.57 -31.22 62.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.628 -178.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 71.2 t90 -62.12 -48.46 80.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.807 175.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.48 ' HA ' HG22 ' A' ' 34' ' ' VAL . 79.8 mt -61.06 -38.42 79.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.146 176.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 32' ' ' LYS . 2.6 tmmm? -55.66 -43.35 76.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.085 175.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -77.39 -45.75 24.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.842 -174.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.48 HG22 ' HA ' ' A' ' 31' ' ' ILE . 25.6 m -77.36 -43.9 30.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.815 -174.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.92 -48.53 2.37 Favored Glycine 0 C--O 1.234 0.126 0 N-CA-C 111.965 -0.454 . . . . 0.0 111.965 -177.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.451 ' HA ' ' O ' ' A' ' 98' ' ' PHE . 9.3 m-20 -127.0 110.05 12.55 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.058 -0.571 . . . . 0.0 109.463 -179.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.54 176.98 44.61 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.637 -177.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.531 HG12 ' HA ' ' A' ' 97' ' ' VAL . 15.7 m -133.97 133.34 56.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.025 0.44 . . . . 0.0 111.708 -178.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.607 HG23 HG21 ' A' ' 22' ' ' VAL . 2.7 mp -101.03 115.37 42.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 174.322 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.422 HD22 HG23 ' A' ' 74' ' ' VAL . 5.3 tt -92.83 120.11 32.85 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 177.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.418 HD12 HG22 ' A' ' 39' ' ' ILE . 10.5 mp -85.76 131.68 34.27 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.514 -178.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 61.0 p . . . . . 0 N--CA 1.476 0.832 0 C-N-CA 124.625 1.17 . . . . 0.0 113.597 176.781 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.429 ' O ' ' HB3' ' A' ' 57' ' ' MET . 26.7 m . . . . . 0 C--O 1.235 0.29 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.429 ' HB3' ' O ' ' A' ' 56' ' ' VAL . 38.9 ttp 75.76 -47.22 0.58 Allowed 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.156 0.582 . . . . 0.0 110.554 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.444 ' H ' HD12 ' A' ' 58' ' ' ILE . 5.2 mp -68.68 -31.63 51.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 171.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.23 -48.48 79.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.168 178.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.505 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 2.1 mp0 -60.02 -42.13 93.66 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.675 177.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -54.34 -45.25 72.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.575 0.702 . . . . 0.0 109.784 176.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -70.33 -4.63 23.11 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.879 -1.055 . . . . 0.0 112.393 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.587 ' NE ' ' HA ' ' A' ' 63' ' ' ARG . 4.0 mmp_? -109.82 -47.43 3.35 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 13.1 pt-20 -95.56 24.3 5.35 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -173.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.479 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 2.0 t80 -90.65 107.59 21.39 Favored Pre-proline 0 C--N 1.329 -0.295 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 176.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 65' ' ' PHE . 5.8 Cg_exo -78.64 15.85 1.37 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.445 2.763 . . . . 0.0 113.372 -173.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -126.22 -46.03 1.66 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -176.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.563 ' HZ ' HG11 ' A' ' 124' ' ' VAL . 68.4 m-85 -113.84 111.65 22.08 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -169.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -88.6 58.05 4.48 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 163.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -89.78 -175.23 4.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.822 -1.081 . . . . 0.0 112.155 -171.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -112.49 120.58 42.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.83 -172.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.3 p -102.4 139.89 22.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.872 -177.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.526 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -143.37 151.95 41.03 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.49 177.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.685 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 4.3 p -135.85 143.09 37.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.956 0.407 . . . . 0.0 110.692 -177.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.54 ' HB1' ' HB2' ' A' ' 79' ' ' GLN . . . -96.19 149.5 21.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.558 177.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -68.07 -81.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.788 -177.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -155.04 -45.89 0.08 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 121.108 -0.237 . . . . 0.0 110.999 174.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.68 -43.79 97.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.607 0.718 . . . . 0.0 110.106 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.54 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . 17.9 mp0 -68.93 -30.35 68.79 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.496 -178.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.6 t -53.84 -55.31 27.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.986 -175.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -65.43 -37.41 86.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.762 0.315 . . . . 0.0 110.995 -175.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.29 -40.19 89.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.985 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.545 HG21 HG21 ' A' ' 39' ' ' ILE . 87.3 mt -70.7 -42.82 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.263 176.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -59.62 -40.41 96.38 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 111.715 177.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -56.95 -32.06 65.64 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 123.075 0.55 . . . . 0.0 111.743 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -34.0 56.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.923 -179.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.14 10.49 10.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.983 0.421 . . . . 0.0 110.612 177.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 64.6 t30 66.96 30.35 7.64 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.481 175.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.4 t -94.14 121.7 44.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.622 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.421 ' O ' ' HG3' ' A' ' 91' ' ' ARG . 20.0 ttm180 -147.47 94.28 2.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.722 179.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 90' ' ' ARG . 10.8 mtm180 172.09 111.77 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.192 0.997 . . . . 0.0 109.532 171.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 67.83 164.8 0.13 Allowed Pre-proline 0 N--CA 1.468 0.452 0 O-C-N 123.964 0.79 . . . . 0.0 111.497 177.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.12 133.38 30.64 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.236 1.957 . . . . 0.0 111.072 173.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.949 ' HA ' ' HA ' ' A' ' 108' ' ' SER . . . -134.08 141.97 47.37 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.618 0.246 . . . . 0.0 110.933 -177.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.475 HG22 ' HB ' ' A' ' 38' ' ' VAL . 7.0 m -118.17 116.15 26.23 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 175.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.603 ' HG ' ' HB2' ' A' ' 106' ' ' ALA . 6.3 mp -92.54 139.91 30.09 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.066 0.46 . . . . 0.0 111.244 -176.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.531 ' HA ' HG12 ' A' ' 38' ' ' VAL . 45.3 t -97.07 106.15 18.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.914 -176.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.458 ' CE2' HD13 ' A' ' 103' ' ' LEU . 41.2 m-85 -101.72 110.84 22.9 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.169 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.8 p -138.0 149.57 46.21 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.616 -0.266 . . . . 0.0 110.364 -177.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.2 t70 70.8 11.16 7.14 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.506 0.67 . . . . 0.0 110.064 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.33 -2.37 85.01 Favored Glycine 0 N--CA 1.444 -0.83 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.53 -175.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.9 pttm -128.76 165.29 21.22 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 121.43 0.633 . . . . 0.0 112.375 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.458 HD13 ' CE2' ' A' ' 98' ' ' PHE . 56.2 tp -89.13 121.96 31.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.274 -178.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 54.8 mtt180 -105.4 -14.93 15.17 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 153.25 -163.75 30.72 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.039 -1.077 . . . . 0.0 112.766 177.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.603 ' HB2' ' HG ' ' A' ' 96' ' ' LEU . . . -132.48 153.88 50.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.754 0.312 . . . . 0.0 110.676 -178.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.06 -10.24 15.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.204 -178.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.949 ' HA ' ' HA ' ' A' ' 94' ' ' ALA . 24.2 m 60.75 -163.55 0.25 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.143 -172.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.496 ' O ' HG22 ' A' ' 110' ' ' ILE . . . -84.13 -21.07 57.93 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.511 173.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.763 HG12 ' H ' ' A' ' 111' ' ' HIS . 5.8 tt 55.06 -174.03 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 C-N-CA 124.225 1.01 . . . . 0.0 112.138 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.763 ' H ' HG12 ' A' ' 110' ' ' ILE . 15.2 t-160 -165.43 -51.34 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.41 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.716 ' HD3' ' HB3' ' A' ' 111' ' ' HIS . 5.1 Cg_exo -80.3 168.39 18.48 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 122.21 1.94 . . . . 0.0 111.4 174.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -137.26 83.15 1.97 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.19 0.519 . . . . 0.0 110.225 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -148.41 -41.91 0.16 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.207 175.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.602 ' CD ' ' H ' ' A' ' 115' ' ' GLU . 0.8 OUTLIER -76.56 -23.25 53.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.815 -177.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.3 mt -53.99 -32.56 54.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.56 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.4 ' HA ' HD22 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -64.1 -46.1 85.71 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.763 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.8 m -71.76 -40.77 69.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.736 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 93.3 mt -59.38 -44.2 92.81 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.25 178.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -58.14 -44.18 87.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.354 177.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.419 ' HA ' ' HD2' ' A' ' 121' ' ' ARG . 7.0 tpt180 -68.52 -29.66 68.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -178.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.8 t -75.66 -39.09 58.18 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.039 0.447 . . . . 0.0 110.536 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.433 HG22 HG13 ' A' ' 124' ' ' VAL . 79.9 mt -74.7 -48.67 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.027 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.563 HG11 ' HZ ' ' A' ' 68' ' ' PHE . 6.0 m -130.97 76.4 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.799 0.809 . . . . 0.0 111.428 -178.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.568 174.366 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.482 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 67.2 tp . . . . . 0 N--CA 1.455 -0.185 0 CA-C-O 120.842 0.353 . . . . 0.0 110.19 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.523 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 76.6 t-105 -56.29 -51.43 68.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.939 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -65.19 -33.95 77.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.969 0.414 . . . . 0.0 110.778 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -68.86 -36.79 78.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.051 178.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 95.6 mt -68.71 -31.34 70.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.452 176.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 11' ' ' TRP . 82.3 mt -66.18 -26.05 67.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.082 0.468 . . . . 0.0 110.369 175.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 m -73.49 -29.54 62.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.247 0.546 . . . . 0.0 109.84 175.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -71.35 -25.01 62.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.801 176.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.4 -135.1 6.84 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.206 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.502 ' CE3' HG11 ' A' ' 74' ' ' VAL . 45.6 m0 69.68 176.63 0.27 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.758 0.789 . . . . 0.0 112.641 173.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -145.33 114.06 4.83 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 114.847 -1.069 . . . . 0.0 109.462 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -71.27 106.84 2.0 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.091 1.861 . . . . 0.0 111.93 178.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.463 HG21 HG13 ' A' ' 39' ' ' ILE . 16.8 m -99.9 178.49 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.533 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 46.4 mt-10 -141.89 173.29 11.64 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.148 -173.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.518 ' HB2' HG13 ' A' ' 83' ' ' ILE . . . -97.81 -26.44 14.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.213 -177.179 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.9 m -71.2 -22.51 62.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.251 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.4 t -135.38 20.95 3.39 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.814 0.34 . . . . 0.0 110.95 -175.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.533 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 7.6 p -60.33 -47.5 92.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.194 -176.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.1 -41.69 90.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.592 -177.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -66.65 -36.91 83.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.682 0.277 . . . . 0.0 110.872 -178.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -65.11 -45.82 83.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.894 0.378 . . . . 0.0 110.307 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.44 HD13 ' CD2' ' A' ' 98' ' ' PHE . 70.5 mt -61.79 -32.3 53.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.203 178.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.419 ' HE2' ' HB3' ' A' ' 32' ' ' LYS . 2.9 tmmm? -63.29 -36.23 82.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.351 175.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.33 -45.28 22.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.106 -174.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.441 ' HB ' ' NE2' ' A' ' 71' ' ' GLN . 26.9 m -87.17 -40.96 14.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -175.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.62 -62.38 0.71 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.414 -0.422 . . . . 0.0 112.059 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.473 ' OD1' ' HA ' ' A' ' 99' ' ' THR . 15.5 m-20 -117.94 150.27 39.51 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -176.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.85 -172.76 39.8 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.388 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.421 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 16.8 m -139.0 143.76 30.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.457 0.17 . . . . 0.0 110.627 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.463 HG13 HG21 ' A' ' 22' ' ' VAL . 2.1 mp -120.34 133.78 65.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 176.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.521 HD11 HG13 ' A' ' 58' ' ' ILE . 34.0 mt -83.6 140.61 32.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.743 176.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.6 mp -117.82 121.45 40.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.362 175.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.8 m . . . . . 0 N--CA 1.466 0.328 0 CA-C-O 121.976 0.894 . . . . 0.0 113.176 174.73 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 CA--C 1.523 -0.078 0 CA-C-O 120.91 0.386 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -47.62 -34.99 8.6 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.455 -176.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.521 HG13 HD11 ' A' ' 40' ' ' LEU . 44.8 mm -60.75 -33.77 56.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-O 120.893 0.377 . . . . 0.0 110.901 -177.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.461 ' HB2' ' HE1' ' A' ' 19' ' ' TRP . . . -78.1 -44.98 24.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.95 0.405 . . . . 0.0 111.044 179.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.55 -29.01 68.99 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.479 -178.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -41.0 63.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.152 0.501 . . . . 0.0 109.793 174.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.5 tp -66.97 -34.09 77.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 86.2 mtt-85 -64.04 -35.26 80.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -106.26 22.86 15.05 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.032 -174.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -112.2 90.25 13.57 Favored Pre-proline 0 C--N 1.331 -0.234 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.355 175.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -87.42 10.06 3.66 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.78 2.32 . . . . 0.0 112.393 -178.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -72.57 -39.59 67.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.371 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -177.16 -172.97 0.42 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.665 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -117.33 127.25 53.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.905 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -135.37 173.27 11.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.864 175.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.441 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -94.24 123.72 37.8 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.008 0.433 . . . . 0.0 110.657 -178.75 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.421 HG23 HG22 ' A' ' 58' ' ' ILE . 3.0 p -80.68 113.61 20.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.244 176.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -123.94 151.94 43.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.986 0.422 . . . . 0.0 111.072 -176.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.502 HG11 ' CE3' ' A' ' 19' ' ' TRP . 32.4 m -141.63 158.66 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.833 -175.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -114.98 157.17 23.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.032 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.409 ' OD1' HD22 ' A' ' 77' ' ' LEU . 6.3 t70 -82.65 -79.44 0.19 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.783 0.325 . . . . 0.0 110.859 -174.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.455 HD23 ' H ' ' A' ' 78' ' ' GLU . 2.2 pt? -157.72 -40.33 0.07 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.735 0.303 . . . . 0.0 111.146 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.455 ' H ' HD23 ' A' ' 77' ' ' LEU . 32.7 tt0 -77.46 -32.23 54.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.11 0.481 . . . . 0.0 110.825 -176.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.455 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 24.9 mp0 -62.66 -29.28 70.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.044 -178.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.7 m -50.46 -49.82 54.16 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 122.736 0.415 . . . . 0.0 111.803 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -62.36 -49.42 75.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.198 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.31 -35.1 71.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.731 -173.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.518 HG13 ' HB2' ' A' ' 24' ' ' ALA . 75.5 mt -68.31 -47.61 77.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.99 0.424 . . . . 0.0 110.114 176.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -65.24 -29.27 74.88 Favored Glycine 0 C--O 1.223 -0.579 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.155 178.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -75.33 -32.53 60.93 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.242 0.544 . . . . 0.0 110.791 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -51.24 -43.57 61.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.886 -178.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.478 ' HD1' HG23 ' A' ' 89' ' ' VAL . 0.9 OUTLIER -132.9 16.54 4.23 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -177.577 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 42.6 t30 63.73 80.61 0.23 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.436 0.636 . . . . 0.0 112.148 174.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.478 HG23 ' HD1' ' A' ' 87' ' ' PHE . 97.9 t -134.38 146.79 30.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.549 175.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.65 ' HB3' ' HD2' ' A' ' 92' ' ' PHE . 21.4 mmt180 -58.56 139.92 55.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.909 0.385 . . . . 0.0 111.738 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 74.1 mtm180 -84.07 75.74 10.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.085 0.469 . . . . 0.0 110.396 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.65 ' HD2' ' HB3' ' A' ' 90' ' ' ARG . 76.6 m-85 -135.54 152.4 76.28 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.247 177.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -56.1 100.71 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.807 2.338 . . . . 0.0 112.333 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -149.7 177.18 10.01 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.34 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.83 ' HB ' HD23 ' A' ' 107' ' ' LEU . 7.4 m -134.52 130.87 37.28 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.52 HD23 ' HB2' ' A' ' 106' ' ' ALA . 94.6 mt -92.46 142.2 27.68 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.69 0.281 . . . . 0.0 110.467 178.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.623 HG11 HG21 ' A' ' 123' ' ' ILE . 25.1 t -99.59 115.68 41.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.392 -178.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.473 ' CZ ' HD13 ' A' ' 103' ' ' LEU . 93.0 m-85 -112.38 116.94 31.14 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.086 0.47 . . . . 0.0 109.761 177.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.473 ' HA ' ' OD1' ' A' ' 36' ' ' ASP . 1.1 p -145.16 151.47 38.49 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.881 -178.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.673 ' HB2' HH12 ' A' ' 104' ' ' ARG . 3.7 t70 73.32 11.22 4.98 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.567 0.699 . . . . 0.0 109.624 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.14 -4.71 84.61 Favored Glycine 0 N--CA 1.442 -0.913 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.309 -175.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -127.56 175.1 8.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.252 0.548 . . . . 0.0 111.672 -176.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.473 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 59.5 tp -80.14 126.61 31.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.071 177.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.749 ' HG2' HG23 ' A' ' 123' ' ' ILE . 0.5 OUTLIER -98.45 -34.05 10.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.136 0.493 . . . . 0.0 110.154 -179.17 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 159.04 -137.88 5.39 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.39 -178.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.52 ' HB2' HD23 ' A' ' 96' ' ' LEU . . . -147.54 165.35 30.61 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.213 -0.292 . . . . 0.0 110.213 -179.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.83 HD23 ' HB ' ' A' ' 95' ' ' THR . 3.4 mm? -82.25 76.92 9.1 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 176.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.2 p -85.48 71.71 10.74 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.412 0.625 . . . . 0.0 110.954 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -110.4 -166.25 19.34 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.715 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 48.2 mm -105.08 -60.75 2.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.823 0.311 . . . . 0.0 111.453 -178.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.507 ' HB3' ' HD3' ' A' ' 112' ' ' PRO . 3.5 t60 -168.15 -53.54 0.0 OUTLIER Pre-proline 0 CA--C 1.539 0.523 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -174.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.507 ' HD3' ' HB3' ' A' ' 111' ' ' HIS . 98.4 Cg_endo -84.2 -162.0 0.15 Allowed 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 121.932 1.755 . . . . 0.0 113.324 -174.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -110.86 77.94 1.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.521 178.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -140.38 -47.43 0.43 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.288 0.566 . . . . 0.0 110.352 177.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.469 ' O ' HD23 ' A' ' 119' ' ' LEU . 1.8 pm0 -68.05 -27.72 66.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.234 -0.893 . . . . 0.0 110.243 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 43.1 mt -54.99 -37.66 66.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.726 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.34 -44.57 94.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.007 0.432 . . . . 0.0 110.764 -178.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.4 m -70.62 -43.52 69.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.981 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' ' 115' ' ' GLU . 2.9 mm? -62.26 -50.91 69.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.732 -179.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.589 ' O ' HG22 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -65.6 -30.42 71.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.059 -176.068 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -58.13 -40.83 82.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.9 0.381 . . . . 0.0 111.065 -177.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 34.9 t -76.46 -34.36 58.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.64 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.749 HG23 ' HG2' ' A' ' 104' ' ' ARG . 83.2 mt -73.0 -49.82 36.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.553 -176.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 120' ' ' MET . 35.0 m -100.36 67.96 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 122.391 1.091 . . . . 0.0 109.23 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.8 t70 . . . . . 0 N--CA 1.468 0.472 0 CA-C-N 113.176 -1.829 . . . . 0.0 113.087 -176.622 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.541 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 92.5 mt . . . . . 0 N--CA 1.461 0.113 0 CA-C-O 120.549 0.214 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.594 ' CZ3' ' HG3' ' A' ' 21' ' ' PRO . 2.3 m95 -62.72 -36.09 81.84 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.143 179.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -61.64 -39.69 92.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.316 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -38.32 73.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.052 176.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.61 HD22 ' HB2' ' A' ' 19' ' ' TRP . 74.8 mt -66.58 -52.79 41.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.154 -177.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.6 mp -54.89 -24.57 23.99 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.895 178.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.0 m -58.52 -43.45 89.16 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.358 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.429 ' HA ' ' HD2' ' A' ' 17' ' ' ARG . 19.0 tpt180 -166.99 -49.13 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -177.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' A' ' 19' ' ' TRP . . . -96.89 132.97 11.21 Favored Glycine 0 C--O 1.226 -0.399 0 C-N-CA 120.323 -0.941 . . . . 0.0 112.988 -173.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.61 ' HB2' HD22 ' A' ' 14' ' ' LEU . 21.1 m95 73.48 117.23 0.05 Allowed 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.809 0.814 . . . . 0.0 111.228 -178.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -114.09 136.02 22.16 Favored Pre-proline 0 C--N 1.318 -0.773 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.233 -177.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.673 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 6.7 Cg_exo -74.11 134.4 19.39 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.183 1.922 . . . . 0.0 110.932 171.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.49 HG13 ' HB1' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -97.98 -178.04 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.103 0.478 . . . . 0.0 111.635 -179.348 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.541 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 61.8 mt-10 -139.36 164.75 29.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.493 -174.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.478 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -79.32 -46.18 18.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.038 0.447 . . . . 0.0 111.16 -176.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.8 m -79.21 -15.12 58.53 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.833 -177.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.9 m -105.58 -20.12 13.56 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.834 -176.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.622 ' O ' HG13 ' A' ' 31' ' ' ILE . 14.4 p -60.91 -35.54 65.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 O-C-N 122.178 -0.326 . . . . 0.0 111.006 -177.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -65.74 -31.43 72.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.282 0.563 . . . . 0.0 110.556 -176.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.548 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 32.4 t70 -85.91 -36.78 19.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.321 178.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.533 ' O ' HG22 ' A' ' 34' ' ' VAL . 60.2 t90 -58.29 -41.51 84.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.619 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.622 HG13 ' O ' ' A' ' 27' ' ' VAL . 96.7 mt -54.42 -50.86 54.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.148 -178.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.548 ' HE2' ' HA ' ' A' ' 29' ' ' ASP . 31.6 mtmt -60.43 -57.83 11.08 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.38 0.609 . . . . 0.0 110.695 179.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.6 ttt-85 -53.55 -46.65 70.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.296 -1.32 . . . . 0.0 112.481 -171.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 30' ' ' TRP . 22.1 m -83.53 -31.49 8.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.024 -178.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.55 -52.99 3.92 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.214 178.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -126.14 124.22 40.04 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.942 0.401 . . . . 0.0 110.087 -175.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.561 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . 175.72 -176.65 47.51 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 111.736 -0.546 . . . . 0.0 111.736 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.543 HG12 ' HA ' ' A' ' 97' ' ' VAL . 14.7 m -139.88 139.89 36.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.916 0.358 . . . . 0.0 111.211 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.47 HG21 HG21 ' A' ' 83' ' ' ILE . 2.2 mp -108.08 119.05 56.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 mp -91.7 125.2 36.34 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 174.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.426 HD11 ' HZ ' ' A' ' 87' ' ' PHE . 10.2 mp -81.55 107.08 14.02 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 173.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.542 ' HA ' ' O ' ' A' ' 76' ' ' ASP . 14.0 m . . . . . 0 CA--C 1.533 0.297 0 O-C-N 123.724 0.64 . . . . 0.0 110.529 -171.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.3 t . . . . . 0 C--O 1.234 0.257 0 CA-C-O 121.356 0.598 . . . . 0.0 109.918 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -63.49 -31.11 72.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.941 177.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.5 mp -68.13 -36.01 73.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-O 121.108 0.48 . . . . 0.0 109.833 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.75 -37.07 85.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.874 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.57 ' OE2' ' HD3' ' A' ' 63' ' ' ARG . 7.6 tp10 -71.22 -40.36 71.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.713 178.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.1 tt -56.44 -46.63 80.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.276 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.428 ' O ' HD23 ' A' ' 62' ' ' LEU . 5.0 tt -51.61 -41.58 61.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.936 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.57 ' HD3' ' OE2' ' A' ' 60' ' ' GLU . 74.6 mtp180 -66.21 -38.05 87.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.172 -172.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.474 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 10.0 pt-20 -104.3 22.76 14.25 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -171.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -99.16 101.36 12.4 Favored Pre-proline 0 C--N 1.331 -0.236 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 174.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.474 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 92.3 Cg_endo -91.35 11.23 2.54 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 123.006 2.471 . . . . 0.0 113.826 -173.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.99 -79.88 0.41 Allowed 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.271 -177.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -108.26 157.6 18.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.071 0.462 . . . . 0.0 111.354 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -105.75 95.11 5.57 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.561 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -100.92 165.89 11.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.27 0.557 . . . . 0.0 112.126 -173.179 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.501 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 1.9 mp0 -103.54 119.87 39.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.271 178.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.8 t -91.35 128.18 43.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.807 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.49 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -131.65 141.79 49.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.845 -179.099 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.673 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 3.5 p -132.75 140.66 46.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.478 -177.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.8 161.03 13.88 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 177.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.542 ' O ' ' HA ' ' A' ' 42' ' ' SER . 4.0 p-10 -74.21 -91.26 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.599 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.493 ' H ' ' CG ' ' A' ' 76' ' ' ASP . 82.3 mt -142.63 -49.3 0.35 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.185 0.517 . . . . 0.0 110.283 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -70.52 -33.4 71.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.866 -177.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.419 ' O ' HG13 ' A' ' 83' ' ' ILE . 2.9 mp0 -75.0 -32.35 61.63 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.782 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.8 m -50.71 -53.71 29.14 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -176.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.434 ' HG3' ' HE ' ' A' ' 90' ' ' ARG . 42.6 tt0 -66.56 -42.16 87.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.735 0.303 . . . . 0.0 111.169 -177.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.69 -41.84 98.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.217 -179.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.47 HG21 HG21 ' A' ' 39' ' ' ILE . 79.8 mt -68.46 -40.08 81.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.101 176.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.624 ' HA2' ' CE1' ' A' ' 87' ' ' PHE . . . -60.82 -37.31 93.46 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.528 178.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -60.44 -38.2 83.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.87 0.367 . . . . 0.0 110.625 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.445 ' HB3' ' O ' ' A' ' 83' ' ' ILE . 3.0 tpm_? -48.7 -49.4 38.08 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.376 177.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.624 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 3.1 p90 -106.1 14.98 27.02 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.791 0.329 . . . . 0.0 111.603 -179.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 63.87 21.69 12.73 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.401 174.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.469 ' HB ' ' CD1' ' A' ' 87' ' ' PHE . 61.9 t -120.47 93.58 2.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.108 0.48 . . . . 0.0 109.761 178.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.434 ' HE ' ' HG3' ' A' ' 81' ' ' GLU . 0.2 OUTLIER -133.13 25.55 4.22 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.84 -177.629 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 92' ' ' PHE . 37.0 ttt85 -104.32 110.36 22.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.744 176.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 63.3 m-85 71.36 151.77 0.14 Allowed Pre-proline 0 N--CA 1.47 0.537 0 O-C-N 124.054 0.846 . . . . 0.0 111.6 -177.131 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 92' ' ' PHE . 6.6 Cg_exo -74.01 110.72 3.14 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.689 2.259 . . . . 0.0 111.58 176.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -128.93 174.15 9.77 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.787 -177.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.0 m -124.97 123.03 39.0 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.488 ' HB3' HD11 ' A' ' 103' ' ' LEU . 6.2 mp -98.43 143.87 28.4 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.943 -178.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.543 ' HA ' HG12 ' A' ' 38' ' ' VAL . 46.3 t -99.71 113.83 36.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.824 -175.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.451 ' CE2' HD13 ' A' ' 103' ' ' LEU . 87.2 m-85 -108.64 119.93 40.97 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.768 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.652 ' OG1' ' HG3' ' A' ' 104' ' ' ARG . 0.5 OUTLIER -148.37 150.78 34.16 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.886 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.47 ' HB2' ' O ' ' A' ' 99' ' ' THR . 4.6 m-20 69.26 12.81 8.5 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.532 0.52 . . . . 0.0 110.692 -174.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.92 12.48 83.38 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.648 -176.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -132.32 167.42 19.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.05 0.452 . . . . 0.0 111.107 -177.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.488 HD11 ' HB3' ' A' ' 96' ' ' LEU . 45.6 tp -87.68 109.87 20.0 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.711 176.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.652 ' HG3' ' OG1' ' A' ' 99' ' ' THR . 18.5 mmt180 -82.92 -38.02 23.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.733 -178.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.435 ' HA3' HD13 ' A' ' 123' ' ' ILE . . . 172.67 -145.82 8.74 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.278 -178.293 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.436 ' HA ' ' HA ' ' A' ' 96' ' ' LEU . . . -134.62 162.25 32.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.689 0.244 . . . . 0.0 110.885 -177.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.415 HD21 HD21 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -109.24 14.53 23.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.785 0.802 . . . . 0.0 109.126 -178.351 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.2 m -129.1 97.36 4.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.017 -176.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -121.87 -67.29 0.24 Allowed Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 174.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.437 ' O ' ' HB2' ' A' ' 111' ' ' HIS . 10.5 tt -143.84 97.08 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 173.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.437 ' HB2' ' O ' ' A' ' 110' ' ' ILE . 91.8 m-70 71.71 139.41 0.06 OUTLIER Pre-proline 0 N--CA 1.47 0.571 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.405 -172.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.83 -43.66 55.1 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.902 2.401 . . . . 0.0 112.81 -177.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -116.62 103.3 10.24 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.005 -178.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -176.83 -59.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.361 175.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.469 ' O ' HD23 ' A' ' 119' ' ' LEU . 17.4 mm-40 -74.38 -6.51 48.57 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.259 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.654 ' HA ' ' HB2' ' A' ' 119' ' ' LEU . 17.9 mt -54.77 -32.43 60.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.773 0.321 . . . . 0.0 111.047 175.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.2 -35.84 78.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.77 177.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.7 m -87.18 -34.78 18.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.968 0.413 . . . . 0.0 110.172 177.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.654 ' HB2' ' HA ' ' A' ' 116' ' ' LEU . 1.2 mm? -54.66 -49.56 70.31 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.516 177.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.782 ' HA ' HG23 ' A' ' 124' ' ' VAL . 22.0 ptp -66.1 -12.59 56.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.466 -178.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.554 ' HA ' ' CZ ' ' A' ' 121' ' ' ARG . 2.8 tpm_? -99.87 -55.36 2.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.237 0.541 . . . . 0.0 110.744 177.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.7 t -75.5 -52.36 10.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.077 -171.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.511 HD12 HD13 ' A' ' 119' ' ' LEU . 47.0 mt -93.01 -50.34 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -171.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.782 HG23 ' HA ' ' A' ' 120' ' ' MET . 6.0 m -110.7 61.79 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.336 0.588 . . . . 0.0 110.999 -178.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.778 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 tm? . . . . . 0 N--CA 1.455 -0.201 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 45.3 t-105 -64.17 -31.19 72.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.173 176.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -56.74 -31.11 64.23 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.091 0.472 . . . . 0.0 110.99 178.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 13' ' ' ARG . 12.1 mmt85 -62.08 -28.25 69.48 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.938 179.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.631 HD22 ' HB2' ' A' ' 19' ' ' TRP . 37.5 mt -73.65 -29.77 62.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.449 0.642 . . . . 0.0 110.573 -178.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 mp -73.68 -26.36 60.69 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.819 175.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.4 m -64.81 -50.82 65.21 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.924 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -178.19 -32.56 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 178.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.611 ' O ' ' HA ' ' A' ' 14' ' ' LEU . . . -71.2 132.1 20.83 Favored Glycine 0 C--O 1.226 -0.382 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.51 -176.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.631 ' HB2' HD22 ' A' ' 14' ' ' LEU . 29.7 m0 62.46 -172.18 0.16 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.373 0.606 . . . . 0.0 111.645 -179.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.422 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 27.9 mm-40 -149.16 128.19 6.19 Favored Pre-proline 0 N--CA 1.444 -0.748 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.58 175.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 20' ' ' GLN . 1.7 Cg_endo -81.48 108.12 1.9 Allowed 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 122.718 2.279 . . . . 0.0 111.586 177.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.497 HG13 ' HB1' ' A' ' 73' ' ' ALA . 5.4 m -92.49 -173.05 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.415 -177.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.556 ' HB3' HG22 ' A' ' 26' ' ' THR . 2.5 tm-20 -133.62 179.54 6.16 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.819 -172.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.6 -32.24 12.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.327 -176.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.55 ' H ' ' CD ' ' A' ' 23' ' ' GLU . 3.8 m -90.76 -37.7 13.5 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.828 0.347 . . . . 0.0 111.071 -179.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.556 HG22 ' HB3' ' A' ' 23' ' ' GLU . 1.1 t -72.78 -7.46 50.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.752 0.31 . . . . 0.0 111.509 -177.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -58.91 -34.68 53.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.391 -175.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -59.53 -53.91 52.68 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.045 0.45 . . . . 0.0 110.7 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -70.8 -38.19 73.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.911 -175.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.609 ' O ' HG22 ' A' ' 34' ' ' VAL . 26.9 t90 -61.23 -52.31 65.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.553 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.0 mm -63.08 -42.42 96.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.9 0.381 . . . . 0.0 110.735 -178.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.494 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -65.72 -32.14 73.52 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.16 179.733 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -75.92 -47.05 26.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.002 0.43 . . . . 0.0 110.892 -175.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 30' ' ' TRP . 25.3 m -85.4 -52.1 12.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.396 -178.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.408 ' N ' HG23 ' A' ' 34' ' ' VAL . . . 91.95 -26.02 14.52 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.168 -0.539 . . . . 0.0 111.858 -177.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -128.91 139.32 52.18 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 122.747 0.419 . . . . 0.0 110.073 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 71' ' ' GLN . . . 157.21 171.1 22.86 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.487 178.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.562 HG12 ' HA ' ' A' ' 97' ' ' VAL . 28.8 m -134.0 136.05 54.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.933 0.397 . . . . 0.0 111.046 179.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.485 HD13 ' CE1' ' A' ' 98' ' ' PHE . 2.3 mp -107.0 124.39 62.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.661 175.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.666 ' HG ' HG12 ' A' ' 58' ' ' ILE . 0.8 OUTLIER -82.94 121.43 26.97 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 175.408 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.3 mp -88.65 116.44 26.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.36 177.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 C--N 1.333 -0.148 0 O-C-N 123.809 0.693 . . . . 0.0 111.836 179.084 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.8 m . . . . . 0 N--CA 1.455 -0.178 0 CA-C-O 121.542 0.687 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 46.3 ttm 173.44 -46.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.735 -1.12 . . . . 0.0 109.133 -177.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.666 HG12 ' HG ' ' A' ' 40' ' ' LEU . 2.8 mp -73.04 -25.39 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.387 -179.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.56 -45.59 82.74 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 174.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 1.7 mp0 -63.78 -38.0 89.45 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.322 174.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.55 ' HB2' ' HA ' ' A' ' 58' ' ' ILE . 0.1 OUTLIER -53.71 -53.49 51.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.125 176.212 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.626 HD22 ' HB ' ' A' ' 72' ' ' VAL . 14.3 tp -69.64 -37.26 76.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.899 -174.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.411 ' HG2' ' HA ' ' A' ' 60' ' ' GLU . 11.5 ptm180 -74.37 -2.31 24.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.874 0.369 . . . . 0.0 111.636 -173.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 5.9 mm-40 -86.11 -3.33 58.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.444 175.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.8 96.17 19.22 Favored Pre-proline 0 C--N 1.334 -0.101 0 CA-C-O 120.896 0.379 . . . . 0.0 111.086 177.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 94.9 Cg_endo -93.29 16.32 1.28 Allowed 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 123.063 2.509 . . . . 0.0 111.904 176.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.64 -64.68 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.74 -174.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.471 ' HD1' ' H ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -132.21 152.95 51.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.112 0.482 . . . . 0.0 111.686 -175.356 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -94.24 129.14 40.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.34 -175.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -149.04 179.02 8.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.564 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.413 ' O ' ' HA2' ' A' ' 37' ' ' GLY . 2.1 mp0 -94.42 148.09 22.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.102 0.477 . . . . 0.0 111.753 -176.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.626 ' HB ' HD22 ' A' ' 62' ' ' LEU . 6.8 p -123.06 133.37 69.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.672 175.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.497 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -143.07 157.74 44.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.945 0.403 . . . . 0.0 111.573 -177.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.508 HG11 ' CE3' ' A' ' 19' ' ' TRP . 24.1 m -133.49 161.68 40.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.946 -178.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.91 157.38 46.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.063 0.458 . . . . 0.0 111.759 -177.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.402 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 17.3 t70 -67.88 151.89 46.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.205 179.155 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.5 tt -57.71 -46.88 83.78 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.404 -177.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.68 -36.61 82.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.176 0.512 . . . . 0.0 110.362 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.473 ' OE1' ' HG2' ' A' ' 23' ' ' GLU . 1.8 tt0 -67.77 -39.08 84.14 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.148 -179.136 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.489 ' HA ' ' HB ' ' A' ' 83' ' ' ILE . 39.5 t -59.06 -29.6 67.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.572 179.048 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -61.06 -42.91 99.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.24 0.543 . . . . 0.0 109.659 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.25 -28.68 53.71 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.693 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.489 ' HB ' ' HA ' ' A' ' 80' ' ' SER . 66.7 mt -66.84 -51.12 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.57 177.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.09 -28.91 69.72 Favored Glycine 0 C--O 1.226 -0.367 0 C-N-CA 120.743 -0.742 . . . . 0.0 111.573 176.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -69.79 -38.99 76.85 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.613 0.72 . . . . 0.0 110.35 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -53.64 -57.59 10.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.507 -1.224 . . . . 0.0 112.219 -178.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.438 ' O ' ' HB3' ' A' ' 88' ' ' ASN . 0.5 OUTLIER -91.86 -15.72 27.76 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.208 -175.696 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.438 ' HB3' ' O ' ' A' ' 87' ' ' PHE . 52.8 t30 80.43 68.49 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 O-C-N 124.743 1.277 . . . . 0.0 109.737 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 23.5 t -129.45 152.36 37.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.032 -178.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -71.3 150.7 44.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.054 178.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -90.37 92.75 9.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.954 0.407 . . . . 0.0 111.859 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -140.36 152.49 66.9 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 173.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -53.98 103.23 0.09 OUTLIER 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.624 2.216 . . . . 0.0 111.734 177.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -147.99 159.47 43.85 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.894 -175.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 27.5 m -119.47 124.19 45.87 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.679 176.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.444 ' HB3' HD11 ' A' ' 103' ' ' LEU . 64.9 mt -92.03 124.86 36.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.009 0.433 . . . . 0.0 110.007 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.562 ' HA ' HG12 ' A' ' 38' ' ' VAL . 64.3 t -96.21 113.05 29.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.459 -178.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.485 ' CE1' HD13 ' A' ' 39' ' ' ILE . 84.8 m-85 -105.05 114.46 28.67 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.879 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.2 m -142.47 149.72 39.59 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 177.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.7 t70 69.95 9.64 7.17 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.792 0.806 . . . . 0.0 109.748 -176.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.23 0.76 89.44 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.568 -173.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -110.51 149.59 30.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.898 0.38 . . . . 0.0 111.184 -177.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.444 HD11 ' HB3' ' A' ' 96' ' ' LEU . 44.1 tp -72.24 97.46 1.99 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 169.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.56 ' HG3' HD13 ' A' ' 123' ' ' ILE . 22.6 tpp85 -97.33 -33.23 11.51 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.576 -168.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -133.65 147.86 19.19 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.078 -1.058 . . . . 0.0 112.992 -177.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.57 99.22 3.44 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 175.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -115.62 139.16 50.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.988 0.423 . . . . 0.0 111.483 -173.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.7 m -118.84 16.07 13.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.404 177.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -69.04 167.3 46.33 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 121.113 -0.565 . . . . 0.0 112.736 -177.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.449 ' N ' HD12 ' A' ' 110' ' ' ILE . 4.2 mp -94.66 -75.07 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 110.165 -179.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.664 ' HB3' ' HD3' ' A' ' 112' ' ' PRO . 2.6 t-160 -148.4 -49.68 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 177.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.664 ' HD3' ' HB3' ' A' ' 111' ' ' HIS . 4.4 Cg_exo -77.96 58.86 6.7 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.145 1.897 . . . . 0.0 110.555 168.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.696 ' CD1' ' HB2' ' A' ' 116' ' ' LEU . 3.3 p90 -71.03 -36.97 72.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.335 -173.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 68.55 -54.3 0.54 Allowed 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.755 0.659 . . . . 0.0 112.46 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.413 ' O ' ' HG ' ' A' ' 119' ' ' LEU . 46.3 mt-10 -52.98 -42.07 65.2 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -174.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.696 ' HB2' ' CD1' ' A' ' 113' ' ' TRP . 14.7 mt -56.93 -32.89 66.43 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -177.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.573 ' O ' ' HB2' ' A' ' 121' ' ' ARG . 3.9 mm? -60.21 -36.29 77.33 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.814 0.34 . . . . 0.0 110.639 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.8 m -87.41 -37.16 17.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.092 0.472 . . . . 0.0 111.015 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 115' ' ' GLU . 86.8 mt -69.24 -50.97 42.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.993 -175.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.516 ' HG3' ' O ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -71.45 -27.29 63.16 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.619 -0.432 . . . . 0.0 109.98 -177.266 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.573 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 26.7 ttt180 -56.36 -43.75 79.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.057 177.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.4 m -76.72 -30.26 56.56 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.756 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.56 HD13 ' HG3' ' A' ' 104' ' ' ARG . 87.1 mt -86.57 -50.21 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -171.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 16.9 m -105.96 68.48 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 122.023 0.916 . . . . 0.0 109.888 -175.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 114.069 -1.423 . . . . 0.0 111.734 -178.413 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.682 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 2.8 mm? . . . . . 0 C--O 1.226 -0.172 0 CA-C-O 120.448 0.166 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.559 ' HE3' ' HB2' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -59.74 -32.39 70.51 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.814 -174.909 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -62.6 -49.8 73.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.292 0.567 . . . . 0.0 110.708 178.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.469 ' HD3' ' HA ' ' A' ' 13' ' ' ARG . 18.6 mmt180 -75.09 -28.17 60.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.958 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.682 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 77.0 mt -64.48 -37.6 88.12 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 175.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.09 -26.91 67.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.784 174.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.3 m -68.58 -50.3 52.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.364 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -160.87 131.75 5.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.759 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 119.51 -66.42 0.4 Allowed Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.574 -0.822 . . . . 0.0 113.024 173.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.629 ' HB2' ' HB3' ' A' ' 14' ' ' LEU . 14.3 m95 -95.93 123.31 39.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.083 0.468 . . . . 0.0 110.83 -174.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -93.13 122.3 63.69 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.504 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.496 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 51.3 Cg_endo -72.69 102.88 1.47 Allowed 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.326 2.017 . . . . 0.0 111.44 175.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.0 m -87.28 172.36 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.481 -177.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.542 ' HG2' ' HG3' ' A' ' 79' ' ' GLN . 40.3 mt-10 -148.42 162.32 39.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.739 -173.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.64 -26.94 55.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.757 0.313 . . . . 0.0 110.792 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.6 m -66.75 -19.36 65.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.663 -178.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 t -140.37 19.6 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.074 0.464 . . . . 0.0 111.067 -177.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.445 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 13.5 p -66.13 -43.59 92.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.281 -175.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -60.29 -43.64 96.1 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.968 0.413 . . . . 0.0 110.826 -178.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 33' ' ' ARG . 14.9 t70 -63.61 -47.61 80.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.77 -179.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.434 ' O ' HG22 ' A' ' 34' ' ' VAL . 74.8 t90 -59.96 -48.22 82.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.856 -177.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.443 HG23 ' HB3' ' A' ' 98' ' ' PHE . 78.7 mt -58.32 -45.27 89.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.699 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -67.32 -40.02 85.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.582 0.706 . . . . 0.0 110.841 -178.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 1.8 tmt_? -64.13 -44.87 90.88 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.616 -1.175 . . . . 0.0 111.478 -177.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.483 ' HB ' ' NE2' ' A' ' 71' ' ' GLN . 33.7 m -83.31 -38.89 14.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.315 -179.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.9 -39.94 1.83 Allowed Glycine 0 N--CA 1.458 0.161 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.603 178.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -129.01 102.11 6.36 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.726 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . -165.96 -166.11 24.43 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.423 -176.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 96' ' ' LEU . 2.4 p -158.04 140.7 5.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.008 0.433 . . . . 0.0 111.599 -178.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.56 HG22 HD12 ' A' ' 41' ' ' LEU . 2.6 mp -109.92 122.43 64.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.344 176.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 tt -91.49 124.01 35.34 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 177.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.56 HD12 HG22 ' A' ' 39' ' ' ILE . 10.3 mp -101.32 112.98 25.64 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -176.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.722 ' HB2' ' HB3' ' A' ' 93' ' ' PRO . 66.5 m . . . . . 0 N--CA 1.466 0.334 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 173.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.2 t . . . . . 0 CA--C 1.536 0.422 0 CA-C-O 121.176 0.513 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 52.5 ttm -54.81 -45.56 74.42 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.931 -176.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.8 mp -64.78 -37.32 79.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-O 120.676 0.274 . . . . 0.0 111.111 -176.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.75 -39.12 84.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.861 0.362 . . . . 0.0 111.306 -177.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 10.9 tp10 -73.3 -39.59 65.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.149 0.5 . . . . 0.0 109.916 178.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.38 -35.2 71.64 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.927 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 59.1 tp -57.9 -45.73 86.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.059 -176.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 8.8 ptp180 -76.36 -16.38 59.75 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -173.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.498 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 7.0 tp10 -102.42 2.98 37.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.059 0.457 . . . . 0.0 110.64 -176.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.14 102.97 17.34 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.518 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.498 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 73.0 Cg_endo -91.21 0.95 4.75 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.854 2.37 . . . . 0.0 113.005 -177.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -92.64 -17.95 23.67 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -173.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.7 ' HZ ' HG11 ' A' ' 124' ' ' VAL . 74.5 m-85 -132.83 165.03 25.53 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.737 0.78 . . . . 0.0 112.931 -173.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -132.5 35.7 3.62 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 173.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.726 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . 0.1 OUTLIER -74.02 164.95 25.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.271 -1.331 . . . . 0.0 113.363 -169.871 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.483 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 2.0 mp0 -102.83 125.0 49.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.718 -1.128 . . . . 0.0 109.637 175.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.9 t -87.48 130.8 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.61 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -137.69 160.49 39.06 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.523 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.543 HG22 ' H ' ' A' ' 76' ' ' ASP . 4.4 p -139.4 141.44 35.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.61 31.79 3.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.152 -176.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.543 ' H ' HG22 ' A' ' 74' ' ' VAL . 25.6 t70 56.46 -105.98 0.3 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.668 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.418 HD12 ' C ' ' A' ' 76' ' ' ASP . 6.1 mp -140.52 -51.86 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 110.344 175.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.88 -53.15 61.52 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.453 -176.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.542 ' HG3' ' HG2' ' A' ' 23' ' ' GLU . 82.6 mm-40 -65.88 -25.67 67.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.487 -177.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.6 m -63.43 -37.27 86.66 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.249 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -65.85 -40.17 91.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.86 0.362 . . . . 0.0 110.224 179.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.56 -39.65 91.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.836 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.7 mt -69.1 -42.54 81.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.48 177.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.429 ' HA2' HG23 ' A' ' 89' ' ' VAL . . . -64.04 -28.79 73.33 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.537 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -75.45 -40.88 56.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.95 0.405 . . . . 0.0 110.849 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -45.25 -48.37 12.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.797 -1.092 . . . . 0.0 112.326 -175.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -122.68 12.96 9.98 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.323 -178.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 50.0 t30 58.69 80.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.588 0.708 . . . . 0.0 111.949 175.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.429 HG23 ' HA2' ' A' ' 84' ' ' GLY . 4.0 t -86.39 44.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.954 175.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 62.59 12.02 5.19 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.071 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 62.6 22.84 13.57 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.35 -175.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 53.8 m-85 -112.08 128.87 24.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.759 0.314 . . . . 0.0 110.729 177.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.722 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 17.1 Cg_exo -67.66 125.71 13.67 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.94 2.427 . . . . 0.0 111.536 176.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -154.39 -170.33 3.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.709 -178.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.9 m -111.48 114.81 28.17 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 38' ' ' VAL . 6.1 mp -103.33 127.93 50.55 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.662 0.268 . . . . 0.0 111.246 -176.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.496 HG23 HD23 ' A' ' 107' ' ' LEU . 78.4 t -80.06 127.87 39.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.159 177.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.443 ' HB3' HG23 ' A' ' 31' ' ' ILE . 79.3 m-85 -121.45 97.9 5.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.305 0.574 . . . . 0.0 110.821 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.465 HG21 ' CE1' ' A' ' 68' ' ' PHE . 50.2 p -131.95 169.97 15.55 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 178.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 71.21 5.16 5.35 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.685 0.615 . . . . 0.0 109.945 -177.098 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 63.6 27.85 71.6 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -166.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -134.57 174.17 10.85 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 121.031 0.443 . . . . 0.0 110.729 -173.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 64.6 tp -91.38 108.66 20.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.022 176.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' A' ' 104' ' ' ARG . 3.3 mmp_? -76.08 -61.03 2.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.145 0.498 . . . . 0.0 109.662 176.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 158.34 -179.6 33.91 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.679 -0.692 . . . . 0.0 112.253 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.459 ' HB2' ' HG ' ' A' ' 96' ' ' LEU . . . -101.17 140.96 34.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.667 0.27 . . . . 0.0 110.971 -178.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.496 HD23 HG23 ' A' ' 97' ' ' VAL . 4.0 mm? -115.56 156.9 24.92 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.403 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 30.9 t -136.26 139.32 42.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.745 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -81.22 87.47 1.37 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.116 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 41.8 mm -78.54 -41.98 25.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.104 0.478 . . . . 0.0 110.345 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.413 ' HB3' ' HD2' ' A' ' 112' ' ' PRO . 40.1 m80 -146.5 166.24 17.33 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.422 179.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' A' ' 111' ' ' HIS . 26.5 Cg_endo -64.16 86.52 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 121.988 1.792 . . . . 0.0 110.686 169.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.94 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.0 OUTLIER 70.54 -97.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.116 -173.81 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 49.69 -86.96 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -74.81 -21.64 59.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.884 -176.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.94 HD12 ' HA ' ' A' ' 113' ' ' TRP . 37.0 mt -55.46 -31.71 62.17 Favored 'General case' 0 C--O 1.224 -0.258 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -177.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.559 HD22 ' HD1' ' A' ' 113' ' ' TRP . 3.9 mm? -53.58 -47.77 69.82 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.937 0.398 . . . . 0.0 111.404 179.287 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 25.3 m -75.42 -34.5 61.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.77 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.448 HD12 HD23 ' A' ' 116' ' ' LEU . 96.8 mt -64.32 -46.91 81.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.543 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -47.96 78.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.344 179.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.544 ' O ' ' HD3' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -63.57 -40.75 97.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.893 0.377 . . . . 0.0 110.389 -177.204 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 8.5 t -69.08 -40.96 78.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.959 -177.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.592 HG22 HG13 ' A' ' 124' ' ' VAL . 75.8 mt -77.28 -49.39 22.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.814 0.34 . . . . 0.0 111.255 -178.09 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.7 HG11 ' HZ ' ' A' ' 68' ' ' PHE . 6.3 m -135.04 77.91 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.368 0.604 . . . . 0.0 111.774 -174.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.7 t70 . . . . . 0 N--CA 1.466 0.355 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.35 176.377 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.622 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 59.3 tp . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.407 0.146 . . . . 0.0 110.718 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.564 ' CZ3' ' HG3' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -56.82 -37.15 70.81 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.226 -179.008 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -56.76 -44.16 81.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.05 0.452 . . . . 0.0 110.569 178.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -73.48 -31.74 63.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.918 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 58.9 mt -68.78 -42.9 76.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.716 -178.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.9 mp -62.18 -25.99 68.09 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.905 0.383 . . . . 0.0 110.882 174.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.5 m -72.79 -56.43 5.25 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 178.94 133.53 0.08 Allowed 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.609 175.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 148.23 -97.21 0.18 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.096 178.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.471 ' CH2' ' HB ' ' A' ' 58' ' ' ILE . 38.1 m0 -92.32 116.02 28.6 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 178.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.487 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 0.9 OUTLIER -88.39 131.22 42.93 Favored Pre-proline 0 C--N 1.315 -0.922 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.366 178.843 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.68 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 26.6 Cg_exo -62.44 106.3 0.48 Allowed 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.768 2.312 . . . . 0.0 112.277 -178.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.9 m -87.74 175.26 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.944 179.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.517 ' HG2' ' HB3' ' A' ' 79' ' ' GLN . 0.2 OUTLIER -153.01 178.46 9.68 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.305 -173.882 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.434 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -83.0 -34.97 26.22 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.397 0.618 . . . . 0.0 109.742 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.8 m -63.92 -30.97 72.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.096 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.2 t -121.5 16.66 11.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.673 -175.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.51 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 14.0 p -67.61 -42.22 86.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.739 0.304 . . . . 0.0 110.194 -179.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -58.06 -43.85 87.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.158 0.504 . . . . 0.0 110.665 177.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -64.25 -50.68 67.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.012 -176.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.495 ' O ' HG22 ' A' ' 34' ' ' VAL . 84.6 t90 -61.45 -44.33 97.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.981 -176.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 88.6 mt -59.55 -42.78 89.19 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.084 0 CA-C-O 120.89 0.376 . . . . 0.0 110.69 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -69.79 -36.49 75.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.225 0.536 . . . . 0.0 110.966 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.454 ' HA ' ' HD2' ' A' ' 33' ' ' ARG . 9.8 mmm180 -71.17 -44.73 64.91 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.497 -174.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 30' ' ' TRP . 34.7 m -90.45 -39.75 12.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.582 -178.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.64 -54.27 3.77 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.412 -0.423 . . . . 0.0 112.356 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -122.87 123.6 41.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.862 0.363 . . . . 0.0 110.349 -177.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 172.46 -164.67 37.03 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.279 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.594 HG12 ' HA ' ' A' ' 97' ' ' VAL . 23.1 m -141.25 144.75 25.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.57 0.224 . . . . 0.0 110.805 -179.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.519 HG22 HD12 ' A' ' 41' ' ' LEU . 2.0 mp -104.72 112.33 37.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 173.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.8 tt -87.09 104.52 16.41 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 175.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.519 HD12 HG22 ' A' ' 39' ' ' ILE . 11.0 mp -62.01 128.65 37.18 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.563 0.22 . . . . 0.0 111.321 -176.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.555 ' HA ' HE22 ' A' ' 79' ' ' GLN . 83.8 p . . . . . 0 N--CA 1.467 0.42 0 C-N-CA 123.617 0.767 . . . . 0.0 111.92 -175.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 CA--C 1.531 0.234 0 CA-C-O 121.069 0.462 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 72.8 mtm -59.21 -34.29 71.99 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.896 -178.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.471 ' HB ' ' CH2' ' A' ' 19' ' ' TRP . 4.2 mp -68.78 -25.11 29.69 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-O 121.155 0.502 . . . . 0.0 110.65 -177.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.91 -46.77 70.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.566 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -71.78 -30.46 65.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.738 178.153 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 49.9 tp -52.33 -47.56 65.95 Favored 'General case' 0 CA--C 1.518 -0.274 0 O-C-N 123.723 0.64 . . . . 0.0 110.308 176.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.528 ' HA ' ' HE1' ' A' ' 70' ' ' TRP . 4.4 tt -54.76 -49.5 70.7 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.847 -1.07 . . . . 0.0 110.308 177.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -63.12 -50.13 71.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.675 -174.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 12.0 pt-20 -92.39 25.01 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -172.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.462 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 2.5 t80 -84.91 107.8 12.9 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 174.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 65' ' ' PHE . 2.7 Cg_endo -81.3 3.08 8.1 Favored 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 123.266 2.644 . . . . 0.0 113.136 -173.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.446 ' HG3' HG21 ' A' ' 124' ' ' VAL . 15.1 mm100 -87.75 -60.15 2.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.873 -178.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -161.15 -164.85 1.23 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.951 -176.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -116.0 148.71 39.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.739 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.528 ' HE1' ' HA ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -155.12 162.3 41.03 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.691 -177.803 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.405 HE21 ' HB2' ' A' ' 71' ' ' GLN . 1.9 mp0 -101.17 116.2 32.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.971 0.415 . . . . 0.0 110.784 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 90.3 t -91.35 133.73 32.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.902 0.382 . . . . 0.0 110.68 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -131.21 150.72 52.03 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.133 177.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.68 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 7.9 p -118.04 144.48 25.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.515 ' HB1' ' CD ' ' A' ' 79' ' ' GLN . . . -87.12 156.44 19.71 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.688 0.28 . . . . 0.0 111.569 -174.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -64.4 -92.84 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.229 -174.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.658 ' N ' HE21 ' A' ' 79' ' ' GLN . 56.3 tp -152.2 -75.7 0.13 Allowed 'General case' 0 C--O 1.234 0.24 0 O-C-N 121.838 -0.539 . . . . 0.0 111.881 -177.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -61.57 -29.38 69.98 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 123.14 0.576 . . . . 0.0 111.582 -175.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.658 HE21 ' N ' ' A' ' 77' ' ' LEU . 1.9 pp0? -52.25 -27.95 16.85 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -177.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.8 t -50.9 -34.95 30.53 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 123.342 0.401 . . . . 0.0 111.287 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -63.21 -51.6 65.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.631 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.62 -42.69 34.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.846 -175.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.412 HG13 ' HB2' ' A' ' 24' ' ' ALA . 47.8 mt -59.1 -44.39 91.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.833 0.349 . . . . 0.0 111.0 -178.089 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.22 -35.95 92.62 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.401 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -78.75 -35.47 44.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.982 0.42 . . . . 0.0 110.678 -177.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -45.06 -52.57 8.86 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.463 -177.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -120.85 15.16 11.72 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.526 -0.469 . . . . 0.0 111.289 -177.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 63.27 80.72 0.22 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.821 -1.081 . . . . 0.0 112.564 172.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.3 t -103.51 10.16 8.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 170.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.8 ttp180 68.8 18.79 8.56 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 114.695 -1.139 . . . . 0.0 109.627 -174.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? 60.05 78.55 0.27 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.239 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.456 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 79.2 t80 -148.81 134.46 9.65 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.085 -175.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 92' ' ' PHE . 15.5 Cg_exo -68.28 115.98 4.13 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.819 2.346 . . . . 0.0 112.408 178.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -161.58 -177.81 6.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.087 178.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.5 m -110.3 117.49 33.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.556 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.841 HD13 ' HB2' ' A' ' 106' ' ' ALA . 1.0 OUTLIER -91.58 137.14 32.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.794 177.853 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.594 ' HA ' HG12 ' A' ' 38' ' ' VAL . 48.2 t -96.12 122.54 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 -176.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.461 ' CE1' HD13 ' A' ' 39' ' ' ILE . 90.5 m-85 -122.46 104.48 9.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.031 -178.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.49 ' O ' ' HB2' ' A' ' 100' ' ' ASP . 82.6 p -123.9 155.65 37.71 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 172.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.49 ' HB2' ' O ' ' A' ' 99' ' ' THR . 15.2 m-20 69.29 14.21 8.55 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 123.293 0.37 . . . . 0.0 110.464 -177.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 69.74 19.84 75.33 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 -172.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -134.29 147.75 50.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.837 0.351 . . . . 0.0 110.952 -175.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.444 HD11 HD12 ' A' ' 96' ' ' LEU . 54.5 tp -69.56 122.83 19.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.987 0.422 . . . . 0.0 110.372 177.246 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.535 ' HB3' HD12 ' A' ' 123' ' ' ILE . 35.9 mmt180 -103.99 -31.31 9.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.768 -177.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 170.21 -163.91 37.24 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.567 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.841 ' HB2' HD13 ' A' ' 96' ' ' LEU . . . -149.21 162.44 40.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.549 0.174 . . . . 0.0 110.754 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.517 HD13 HD12 ' A' ' 119' ' ' LEU . 4.4 mm? -85.39 94.24 8.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.948 0.404 . . . . 0.0 111.26 179.02 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.7 m -105.35 139.2 40.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.507 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 113.65 171.2 17.58 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.898 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 56.7 mt -124.22 89.85 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.159 0.504 . . . . 0.0 109.728 177.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.656 ' HB3' ' HB3' ' A' ' 114' ' ' ALA . 5.6 m80 -147.95 148.06 28.72 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.271 -178.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -83.01 90.44 1.02 Allowed 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.842 2.362 . . . . 0.0 111.707 176.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 4.5 t-105 74.77 -11.87 1.0 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.311 0.644 . . . . 0.0 111.08 176.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.656 ' HB3' ' HB3' ' A' ' 111' ' ' HIS . . . -73.74 -19.07 60.9 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -176.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.584 ' HG3' ' HB2' ' A' ' 111' ' ' HIS . 0.0 OUTLIER -87.29 -36.57 17.82 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.468 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.442 HD23 HD11 ' A' ' 107' ' ' LEU . 45.7 mt -57.66 -37.16 72.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.863 173.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.67 -57.22 11.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.831 -178.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.9 m -69.42 -39.03 78.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.28 -176.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.517 HD12 HD13 ' A' ' 107' ' ' LEU . 90.9 mt -66.05 -40.14 90.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.718 0.294 . . . . 0.0 110.729 -179.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 55.5 ttp -58.13 -43.01 87.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.35 176.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 -58.9 -45.32 90.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.348 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 39.3 m -74.63 -44.5 50.22 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -177.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.535 HD12 ' HB3' ' A' ' 104' ' ' ARG . 43.4 mm -81.38 -42.97 20.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -171.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.446 HG21 ' HG3' ' A' ' 67' ' ' GLN . 15.7 m -123.41 74.36 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 122.258 1.028 . . . . 0.0 111.016 -175.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.3 t70 . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 114.338 -1.301 . . . . 0.0 110.955 179.797 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.5 mt . . . . . 0 C--O 1.233 0.23 0 CA-C-O 120.9 0.381 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 23.4 t-105 -66.93 -28.23 68.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.631 -176.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -55.9 -40.97 73.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.251 0.548 . . . . 0.0 110.765 177.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -66.19 -39.04 89.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.145 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 70.5 mt -69.28 -43.25 74.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.766 -178.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.3 mt -59.82 -33.02 71.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.835 177.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.0 m -70.12 -27.21 64.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.897 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.592 ' NE ' ' HA ' ' A' ' 17' ' ' ARG . 1.8 mmp_? -93.85 -1.14 55.28 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.96 13.53 46.01 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.725 -0.75 . . . . 0.0 113.595 173.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.479 ' CZ3' HG11 ' A' ' 74' ' ' VAL . 14.0 m0 -73.15 123.27 23.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 117.016 0.408 . . . . 0.0 110.68 178.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.461 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 64.3 tt0 -110.26 131.27 22.11 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.661 -177.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.579 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 3.5 Cg_exo -77.47 131.32 11.47 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.994 2.463 . . . . 0.0 111.95 176.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.407 HG21 HG13 ' A' ' 39' ' ' ILE . 10.6 m -121.89 -179.21 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.139 0.495 . . . . 0.0 112.119 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -142.81 175.96 9.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.409 -177.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.644 ' HB2' ' HA ' ' A' ' 83' ' ' ILE . . . -83.94 -21.37 31.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.07 178.193 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 m -79.8 -42.48 24.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.162 0.506 . . . . 0.0 111.022 -177.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.2 t -96.63 5.1 51.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.57 -175.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 24' ' ' ALA . 14.6 p -63.09 -40.06 87.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 120.627 0.251 . . . . 0.0 110.787 -176.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -60.59 -41.83 95.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.286 0.565 . . . . 0.0 110.599 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.533 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 28.0 t70 -77.49 -39.61 45.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.094 -175.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.486 ' O ' HG22 ' A' ' 34' ' ' VAL . 68.5 t90 -64.45 -48.25 76.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.169 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.423 HD11 ' CD1' ' A' ' 39' ' ' ILE . 30.8 mm -60.16 -47.06 93.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.931 -177.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.533 ' HE3' ' HA ' ' A' ' 29' ' ' ASP . 20.6 pttp -67.98 -33.13 74.04 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.308 -176.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.8 ttm-85 -72.96 -47.41 45.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.381 . . . . 0.0 110.956 -177.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.529 ' HB ' ' NE2' ' A' ' 71' ' ' GLN . 23.6 m -81.03 -34.33 13.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.24 -177.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.12 -52.71 4.75 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.025 177.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -123.06 120.29 32.87 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.906 0.384 . . . . 0.0 110.004 -177.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.74 173.68 46.26 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 121.132 -0.556 . . . . 0.0 111.877 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' ' 97' ' ' VAL . 18.1 m -132.91 141.05 45.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 O-C-N 122.728 -0.278 . . . . 0.0 110.867 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.49 HD13 ' CE1' ' A' ' 98' ' ' PHE . 2.2 mp -107.8 114.68 47.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.405 ' HG ' ' OG1' ' A' ' 95' ' ' THR . 0.9 OUTLIER -96.29 118.78 33.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.484 177.843 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.0 mp -79.96 119.12 22.38 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 175.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.2 m . . . . . 0 N--CA 1.465 0.321 0 O-C-N 123.732 0.645 . . . . 0.0 111.104 -175.65 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.5 t . . . . . 0 N--CA 1.467 0.404 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.469 ' SD ' HD11 ' A' ' 107' ' ' LEU . 46.2 ttm -63.85 -43.97 94.54 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -170.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.423 ' H ' HD12 ' A' ' 58' ' ' ILE . 4.4 mp -56.19 -49.69 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-O 120.654 0.264 . . . . 0.0 111.376 -177.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.38 -42.86 95.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.23 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -69.06 -43.11 75.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.891 -177.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.412 HD13 HD13 ' A' ' 116' ' ' LEU . 16.5 tp -64.1 -40.62 96.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.048 -177.314 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 68.5 tp -48.43 -39.04 21.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.811 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.414 ' H ' ' HG3' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -106.37 20.77 18.48 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.602 -176.124 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -128.57 -19.71 3.72 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.4 112.51 15.1 Favored Pre-proline 0 N--CA 1.464 0.247 0 CA-C-O 120.794 0.33 . . . . 0.0 111.504 -176.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -96.34 13.51 1.06 Allowed 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 123.447 2.765 . . . . 0.0 112.849 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -92.21 -58.86 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.175 -177.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -155.49 169.37 24.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.955 -175.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -99.41 118.96 37.19 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 177.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -120.09 157.09 29.69 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.929 0.395 . . . . 0.0 110.69 177.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.529 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 2.1 mp0 -91.6 129.08 37.64 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.478 -178.057 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 91.9 t -88.87 116.55 30.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.23 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -123.59 133.71 53.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.441 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.579 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 10.4 m -129.49 156.49 41.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 -178.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.459 ' HB1' ' HB3' ' A' ' 79' ' ' GLN . . . -120.6 153.87 36.21 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -173.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -66.25 162.63 19.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.834 174.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.9 tt -56.25 -40.28 73.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.973 0.416 . . . . 0.0 110.48 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -68.68 -43.6 75.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.794 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.459 ' HB3' ' HB1' ' A' ' 75' ' ' ALA . 1.6 mp0 -62.95 -30.19 71.38 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.264 178.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.7 m -55.47 -48.28 74.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.348 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -72.13 -33.56 67.89 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.325 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.47 -44.77 93.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.556 177.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.644 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . 67.8 mt -68.02 -40.77 83.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.246 177.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.17 -39.53 96.02 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.654 175.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -60.49 -39.6 88.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.151 0.5 . . . . 0.0 111.283 177.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.519 ' HB2' ' HB1' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -50.09 -46.37 53.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.585 179.344 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.516 ' CD1' ' HB ' ' A' ' 89' ' ' VAL . 7.6 p90 -109.98 14.0 23.19 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.5 t30 63.25 30.8 15.76 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 122.877 0.471 . . . . 0.0 111.544 172.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.516 ' HB ' ' CD1' ' A' ' 87' ' ' PHE . 98.4 t -134.59 115.9 20.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 122.091 -0.381 . . . . 0.0 110.802 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.9 ttp180 -117.43 29.92 7.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.511 0.672 . . . . 0.0 109.347 177.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -80.09 89.89 5.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.945 -178.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 71.35 155.3 0.15 Allowed Pre-proline 0 N--CA 1.468 0.467 0 O-C-N 123.884 0.74 . . . . 0.0 112.101 176.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -77.73 102.0 1.54 Allowed 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.571 2.181 . . . . 0.0 110.714 171.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -119.43 174.77 6.18 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.271 -175.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.405 ' OG1' ' HG ' ' A' ' 40' ' ' LEU . 12.6 m -117.5 117.06 28.42 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.4 mp -91.93 135.05 34.24 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.079 -178.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.548 ' HA ' HG12 ' A' ' 38' ' ' VAL . 48.9 t -96.79 118.31 42.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.068 -176.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.495 ' CE2' HD13 ' A' ' 103' ' ' LEU . 37.9 m-85 -116.23 118.0 31.59 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.56 178.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.403 ' O ' ' HB3' ' A' ' 100' ' ' ASP . 1.1 p -139.66 151.72 46.17 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 99' ' ' THR . 27.3 t70 72.23 3.7 4.77 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.851 0.834 . . . . 0.0 110.378 -177.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.29 0.83 79.57 Favored Glycine 0 N--CA 1.443 -0.887 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.969 -173.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -120.29 159.97 23.93 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 121.248 0.547 . . . . 0.0 111.704 178.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.495 HD13 ' CE2' ' A' ' 98' ' ' PHE . 52.6 tp -82.01 127.71 33.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.26 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.592 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 1.2 mmp_? -91.35 -41.46 10.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.56 179.005 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 161.0 -172.61 37.31 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.152 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -103.87 137.72 41.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.909 0.385 . . . . 0.0 110.84 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.469 HD11 ' SD ' ' A' ' 57' ' ' MET . 1.3 tm? -92.0 115.19 27.85 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 25.0 m -152.85 163.45 39.73 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.809 ' HA3' ' HG3' ' A' ' 115' ' ' GLU . . . -179.57 175.73 47.14 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.011 179.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 40.7 pt -101.64 -8.37 9.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.191 0.519 . . . . 0.0 110.74 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -110.97 143.02 27.43 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.826 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.19 -32.93 97.97 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.71 2.274 . . . . 0.0 112.196 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 16.2 t-105 -161.57 107.0 1.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.286 177.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 179.9 -34.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.279 0.561 . . . . 0.0 110.069 178.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.809 ' HG3' ' HA3' ' A' ' 109' ' ' GLY . 1.5 mm-40 -59.87 -30.67 69.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.247 -173.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.412 HD13 HD13 ' A' ' 61' ' ' LEU . 73.2 mt -57.4 -35.52 70.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.371 -176.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.23 -36.05 76.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.74 0.305 . . . . 0.0 111.49 -173.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.3 m -87.3 -40.97 14.02 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.791 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.557 ' O ' HG12 ' A' ' 123' ' ' ILE . 95.6 mt -67.62 -49.52 62.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 112.014 -175.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 62.8 mtm -58.35 -35.49 72.01 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 111.449 0.166 . . . . 0.0 111.449 -174.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -56.1 -53.9 51.5 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.902 0.382 . . . . 0.0 111.705 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.3 t -70.62 -30.34 66.97 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.117 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.557 HG12 ' O ' ' A' ' 119' ' ' LEU . 39.6 mm -70.04 -48.87 60.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.475 -178.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.552 HG13 HG22 ' A' ' 123' ' ' ILE . 5.3 m -133.11 75.66 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.392 0.615 . . . . 0.0 111.551 -177.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 13.6 t70 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.501 175.582 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.02 -171.23 0.17 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.378 -177.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -151.52 -176.81 5.75 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 177.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -67.78 -82.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 123.206 0.316 . . . . 0.0 111.364 -178.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 56.4 m 62.25 94.39 0.05 OUTLIER Pre-proline 0 CA--C 1.534 0.334 0 O-C-N 123.369 0.418 . . . . 0.0 111.029 -177.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -62.82 94.78 0.15 Allowed 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.684 2.256 . . . . 0.0 112.396 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 12.2 t80 63.13 -152.49 0.33 Allowed 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.203 176.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.5 m 69.72 -83.92 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.268 0.627 . . . . 0.0 111.872 176.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.08 -31.1 70.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.961 0.41 . . . . 0.0 111.303 -174.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.95 -29.41 70.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.032 -178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -60.64 -38.98 86.61 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.949 -177.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -68.31 -41.73 80.45 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.201 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -74.67 -31.31 61.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.46 -176.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.467 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.6 pp -74.71 -30.68 61.62 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.267 0.556 . . . . 0.0 110.073 177.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.467 ' N ' HD12 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -60.21 -25.71 65.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.992 -1.003 . . . . 0.0 110.391 175.692 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.3 m -64.08 -26.31 68.49 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.023 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -142.15 102.26 4.08 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.126 0.788 . . . . 0.0 113.126 -175.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.14 -37.81 3.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.96 -0.638 . . . . 0.0 113.586 168.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.637 ' HH2' ' HB2' ' A' ' 55' ' ' PRO . 12.6 m95 -92.29 140.63 29.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.018 0.437 . . . . 0.0 111.491 -176.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.465 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 35.9 tt0 -151.69 127.9 5.17 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.615 176.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.626 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 3.0 Cg_exo -74.64 116.74 4.7 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.568 2.179 . . . . 0.0 111.497 178.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.482 ' CG1' ' HB1' ' A' ' 73' ' ' ALA . 16.6 m -109.37 -170.39 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.742 -176.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.509 ' HB2' HG22 ' A' ' 26' ' ' THR . 32.0 mt-10 -141.92 -170.44 3.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.148 -171.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.455 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -106.29 -50.59 3.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.586 0.232 . . . . 0.0 111.605 -177.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.5 m -72.09 1.21 7.8 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -175.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.509 HG22 ' HB2' ' A' ' 23' ' ' GLU . 9.7 t -137.08 13.58 3.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.814 0.34 . . . . 0.0 110.884 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 24' ' ' ALA . 10.8 p -73.14 -35.13 46.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.598 -177.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.25 -48.8 67.93 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.178 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -68.61 -35.0 76.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -177.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.444 ' O ' HG22 ' A' ' 34' ' ' VAL . 81.8 t90 -62.09 -49.43 75.98 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.043 0.449 . . . . 0.0 110.084 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 48.6 mt -61.78 -43.28 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.344 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 tmmm? -62.45 -38.45 89.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.724 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -68.14 -46.27 71.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.006 -173.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 30' ' ' TRP . 33.9 m -93.29 -42.28 13.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.56 -175.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.79 6.38 67.02 Favored Glycine 0 CA--C 1.516 0.11 0 CA-C-N 116.295 -0.411 . . . . 0.0 113.137 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.414 ' H ' HG23 ' A' ' 34' ' ' VAL . 24.4 t70 -160.75 104.33 1.37 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -175.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.546 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . 167.79 -174.63 42.79 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.611 -178.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.581 HG12 ' HA ' ' A' ' 97' ' ' VAL . 27.1 m -135.18 148.75 28.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.507 0.194 . . . . 0.0 110.926 -177.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 mp -109.16 120.46 60.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 172.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 tt -95.44 118.71 32.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.762 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.557 HD13 HD23 ' A' ' 96' ' ' LEU . 10.5 mp -81.52 139.73 34.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.264 178.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.432 ' HB2' ' HB2' ' A' ' 80' ' ' SER . 5.1 m -59.92 146.64 41.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.008 178.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.964 ' HA ' ' HB3' ' A' ' 93' ' ' PRO . 15.1 m -59.88 103.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -176.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.35 156.04 77.81 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.501 169.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -46.35 103.98 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.249 2.632 . . . . 0.0 112.883 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.427 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -99.29 0.69 43.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.466 -175.685 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.427 ' HB2' ' O ' ' A' ' 46' ' ' ARG . 93.2 mtt180 68.51 -171.85 0.18 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.22 -171.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 45.9 m 69.66 97.81 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 O-C-N 123.629 0.581 . . . . 0.0 109.94 -175.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -60.66 137.32 72.58 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.641 2.227 . . . . 0.0 112.195 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 64.21 -167.94 0.21 Allowed 'General case' 0 N--CA 1.463 0.202 0 O-C-N 123.795 0.685 . . . . 0.0 111.404 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.9 t 59.87 77.2 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-O 121.376 0.608 . . . . 0.0 111.068 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.5 m -72.24 120.54 17.99 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.245 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -63.49 129.0 38.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.977 177.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.492 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 49.8 m-80 -79.79 123.41 83.88 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.673 -177.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.637 ' HB2' ' HH2' ' A' ' 19' ' ' TRP . 5.7 Cg_exo -78.97 10.14 3.04 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 123.355 2.704 . . . . 0.0 112.039 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.1 t -66.69 -26.39 37.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.28 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.8 mtt -56.62 -37.26 70.47 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.479 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.6 mp -65.86 -41.31 89.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-O 121.062 0.458 . . . . 0.0 109.932 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.496 ' O ' ' HD3' ' A' ' 63' ' ' ARG . . . -65.66 -36.16 82.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.209 177.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.587 ' HA ' ' NH1' ' A' ' 63' ' ' ARG . 8.3 tp10 -62.06 -54.26 43.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.671 176.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -53.73 -44.41 69.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.588 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.508 HD13 HG23 ' A' ' 72' ' ' VAL . 55.3 tp -47.94 -47.86 32.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.063 -178.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.587 ' NH1' ' HA ' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -83.53 -26.3 30.26 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -177.586 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.416 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 6.0 mm-40 -81.98 1.85 33.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.807 0.336 . . . . 0.0 111.326 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -97.77 105.57 27.86 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.253 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 96.5 Cg_endo -90.43 -0.34 5.3 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 122.961 2.441 . . . . 0.0 113.286 -176.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.1 -68.92 0.45 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -177.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.632 ' HD1' ' H ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -137.51 163.44 31.13 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.09 -177.288 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -102.26 80.17 1.93 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.537 -174.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.546 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -89.29 167.01 13.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.046 179.72 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -115.75 143.63 45.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.599 -175.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.508 HG23 HD13 ' A' ' 62' ' ' LEU . 64.6 t -103.06 101.73 12.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.333 0.587 . . . . 0.0 111.166 -176.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.482 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -96.17 126.19 41.21 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.449 176.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.626 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 29.5 m -118.89 148.88 21.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-O 120.846 0.355 . . . . 0.0 111.085 -174.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.583 ' HB1' ' HB2' ' A' ' 79' ' ' GLN . . . -95.76 139.24 32.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.077 176.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.429 ' OD1' HD22 ' A' ' 77' ' ' LEU . 5.7 t70 -61.97 -71.67 0.15 Allowed 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.433 0.458 . . . . 0.0 110.829 -175.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.546 ' HG ' ' N ' ' A' ' 78' ' ' GLU . 2.3 pt? -154.52 -65.31 0.13 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.726 174.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.546 ' N ' ' HG ' ' A' ' 77' ' ' LEU . 40.1 tt0 -65.36 -32.5 74.17 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.062 0.458 . . . . 0.0 110.927 -177.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.583 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . 8.6 mm100 -54.83 -30.0 56.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.381 -177.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.432 ' HB2' ' HB2' ' A' ' 42' ' ' SER . 17.7 t -56.23 -40.55 74.27 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.567 -176.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.828 ' HA ' ' HD3' ' A' ' 90' ' ' ARG . 35.6 tt0 -63.2 -47.46 82.49 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.726 -176.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.45 -43.64 85.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.954 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 67.8 mt -65.4 -49.1 80.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.544 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.562 ' HA3' ' HB2' ' A' ' 90' ' ' ARG . . . -65.59 -32.09 82.13 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.834 -178.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -71.15 -39.68 71.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.197 0.523 . . . . 0.0 110.198 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -49.51 -40.13 36.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.702 -1.135 . . . . 0.0 112.619 -175.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.446 ' HD1' HG23 ' A' ' 89' ' ' VAL . 2.0 p90 -123.14 14.82 9.82 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 59.5 t30 56.75 73.77 0.44 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.562 -0.744 . . . . 0.0 112.072 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.662 HG21 HD11 ' A' ' 96' ' ' LEU . 79.5 t -136.76 -17.31 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.274 176.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.828 ' HD3' ' HA ' ' A' ' 81' ' ' GLU . 53.1 ttp85 -63.71 117.98 7.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.121 0.486 . . . . 0.0 111.019 -175.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -178.0 -35.45 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -150.94 152.14 31.13 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 114.815 -1.084 . . . . 0.0 108.962 176.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.964 ' HB3' ' HA ' ' A' ' 43' ' ' SER . 15.6 Cg_endo -58.63 114.77 2.13 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.652 2.235 . . . . 0.0 111.947 179.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.81 163.8 32.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.3 m -118.79 124.08 46.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.038 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.743 HD13 ' HB2' ' A' ' 106' ' ' ALA . 1.9 mm? -89.58 133.77 34.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.697 0.284 . . . . 0.0 110.31 -176.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.581 ' HA ' HG12 ' A' ' 38' ' ' VAL . 42.1 t -98.58 114.84 37.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.676 -175.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -108.56 101.25 10.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.242 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.403 HG23 HG12 ' A' ' 97' ' ' VAL . 24.7 p -112.66 138.15 49.88 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.968 -178.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.7 t70 70.88 12.49 7.11 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.676 0.61 . . . . 0.0 110.279 -178.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.07 5.26 86.06 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.969 -174.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -122.35 147.02 46.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.159 0.504 . . . . 0.0 111.609 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.41 HD11 HD12 ' A' ' 96' ' ' LEU . 55.8 tp -77.28 123.28 26.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.835 176.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.6 ' HA ' ' NE ' ' A' ' 104' ' ' ARG . 4.1 mmp_? -119.88 -40.89 2.7 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -178.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -150.51 -171.21 18.55 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.062 -1.066 . . . . 0.0 112.605 -177.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.743 ' HB2' HD13 ' A' ' 96' ' ' LEU . . . -154.08 147.4 24.88 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.811 0.338 . . . . 0.0 110.564 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -98.98 120.32 39.23 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.72 ' HB2' HD13 ' A' ' 110' ' ' ILE . 10.5 p -91.12 -39.94 11.87 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -173.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 82.22 36.91 16.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.112 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.72 HD13 ' HB2' ' A' ' 108' ' ' SER . 1.7 mp -93.17 -39.75 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -116.18 101.18 53.92 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 177.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -44.1 109.3 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 124.118 3.212 . . . . 0.0 114.07 -172.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.756 ' HA ' HD12 ' A' ' 116' ' ' LEU . 6.3 t-105 72.0 -37.76 0.4 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 114.691 -1.141 . . . . 0.0 112.924 173.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.13 -36.23 67.99 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.796 0.331 . . . . 0.0 111.83 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -77.9 -18.07 56.57 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.86 -177.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.756 HD12 ' HA ' ' A' ' 113' ' ' TRP . 24.7 mt -63.72 -37.26 86.7 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 175.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.512 ' O ' ' HB2' ' A' ' 121' ' ' ARG . 79.7 mt -71.7 -41.92 68.02 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.157 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.0 m -81.98 -44.09 17.16 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -175.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 86.3 mt -73.42 -48.93 29.88 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 122.381 -0.2 . . . . 0.0 111.514 -175.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 25.8 mmt -64.49 -31.25 72.39 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.185 -0.206 . . . . 0.0 111.02 -177.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.512 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 2.9 tmt_? -58.97 -35.89 73.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.355 0.598 . . . . 0.0 109.97 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 26.3 t -76.31 -30.63 57.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 62.8 mt -83.29 -46.3 18.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.133 0.492 . . . . 0.0 110.81 -176.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.1 m -125.98 87.4 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-O 121.991 0.9 . . . . 0.0 109.332 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -48.55 -28.99 3.76 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 113.966 -1.47 . . . . 0.0 111.991 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 22.4 m -61.37 126.83 87.28 Favored Pre-proline 0 CA--C 1.534 0.362 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.698 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -48.2 122.71 7.87 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 123.682 2.921 . . . . 0.0 112.95 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -100.84 -57.09 2.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.407 -172.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -144.38 164.12 31.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.83 -0.168 . . . . 0.0 110.963 -173.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.43 ' O ' ' HB2' ' A' ' 131' ' ' GLU . 60.0 mt-30 -139.94 90.25 2.37 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.703 ' HG2' ' H ' ' A' ' 132' ' ' THR . 28.3 tt0 177.72 173.31 0.56 Allowed 'General case' 0 C--O 1.236 0.381 0 O-C-N 123.618 0.574 . . . . 0.0 109.683 171.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.703 ' H ' ' HG2' ' A' ' 131' ' ' GLU . 20.7 m 74.48 -70.35 0.16 Allowed 'General case' 0 C--O 1.233 0.202 0 O-C-N 123.805 0.691 . . . . 0.0 111.312 175.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 34.4 t 52.05 77.42 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 121.278 0.561 . . . . 0.0 110.752 -176.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 121.097 0.475 . . . . 0.0 110.096 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.9 102.37 14.48 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.202 -176.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.465 ' HB3' ' HG3' ' A' ' 6' ' ' PRO . 57.0 m-80 -142.88 129.28 20.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.792 176.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -88.44 -63.83 1.24 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.74 0.305 . . . . 0.0 110.571 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.5 m -154.85 89.39 3.15 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 175.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.465 ' HG3' ' HB3' ' A' ' 3' ' ' ASN . 1.1 Cg_endo -84.01 105.15 1.12 Allowed 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.996 2.464 . . . . 0.0 112.92 -176.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 55.26 30.71 15.17 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 170.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.3 m 58.84 32.25 22.05 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 123.281 0.363 . . . . 0.0 111.644 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.03 -28.37 24.12 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.071 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.54 -40.39 87.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.094 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.524 ' HZ3' HD11 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -64.99 -32.58 74.38 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-O 121.171 0.51 . . . . 0.0 109.961 -179.583 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -78.08 -38.89 43.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.045 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -73.89 -28.63 61.65 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -176.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.42 HD21 ' HA ' ' A' ' 11' ' ' TRP . 4.4 pp -69.79 -26.91 64.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.379 0.609 . . . . 0.0 110.04 176.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.524 HD11 ' HZ3' ' A' ' 11' ' ' TRP . 86.2 mt -74.25 -27.59 60.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.995 175.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 43.6 m -56.45 -43.01 79.1 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.394 -176.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -163.47 106.97 1.01 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.816 178.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.16 -64.77 0.58 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.508 -0.853 . . . . 0.0 113.069 175.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -91.58 167.36 12.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.218 0.532 . . . . 0.0 111.076 -173.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.407 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 26.8 tt0 -156.85 135.79 7.89 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.299 176.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.75 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 11.8 Cg_exo -72.65 124.74 10.0 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.342 2.028 . . . . 0.0 111.264 176.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.514 HG13 ' HB1' ' A' ' 73' ' ' ALA . 14.6 m -93.42 -177.38 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.36 -178.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.577 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -141.93 -170.02 3.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.094 -175.349 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.434 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -107.72 -36.0 6.53 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.179 0.514 . . . . 0.0 110.19 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.9 m -69.41 -28.45 66.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.885 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.8 t -120.48 15.92 12.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.519 -175.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.577 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 13.9 p -69.38 -35.57 67.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-O 120.904 0.383 . . . . 0.0 110.406 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -65.66 -47.24 76.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.676 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -60.17 -41.88 93.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.544 178.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.464 ' O ' HG22 ' A' ' 34' ' ' VAL . 33.4 t90 -63.9 -49.51 72.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.645 -178.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.496 HD11 ' CD1' ' A' ' 39' ' ' ILE . 29.6 mm -63.47 -39.69 86.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.91 0.386 . . . . 0.0 110.951 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.417 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -63.26 -32.82 74.32 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.667 177.173 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.22 -45.78 17.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.201 -176.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 30' ' ' TRP . 34.5 m -85.1 -41.43 15.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -175.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.15 -45.25 2.76 Favored Glycine 0 C--N 1.329 0.186 0 C-N-CA 121.443 -0.408 . . . . 0.0 112.641 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -122.99 104.41 9.21 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.764 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . -166.81 -165.69 24.64 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.805 -177.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 96' ' ' LEU . 2.4 p -155.14 139.89 9.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.225 0.536 . . . . 0.0 111.503 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.496 ' CD1' HD11 ' A' ' 31' ' ' ILE . 1.9 mp -109.01 115.8 50.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.757 177.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.542 ' HB3' HG23 ' A' ' 74' ' ' VAL . 2.7 tt -79.12 108.24 12.47 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 174.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.591 ' HB3' ' H ' ' A' ' 94' ' ' ALA . 9.7 tp -72.23 128.71 36.52 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.7 -177.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.591 ' HB2' ' HB3' ' A' ' 93' ' ' PRO . 21.6 m 56.97 -124.42 1.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.914 -177.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.9 t -179.77 -68.98 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -114.58 139.27 23.8 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.354 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -71.52 -22.79 24.17 Favored 'Trans proline' 0 CA--C 1.527 0.128 0 C-N-CA 122.489 2.126 . . . . 0.0 111.157 175.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.407 ' HG2' ' H ' ' A' ' 47' ' ' ARG . 36.4 ttm-85 178.23 -133.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.407 ' H ' ' HG2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -86.13 39.09 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 118.069 0.395 . . . . 0.0 109.994 176.728 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 37.9 m 23.24 91.17 0.05 OUTLIER Pre-proline 0 N--CA 1.473 0.698 0 C-N-CA 125.142 1.377 . . . . 0.0 114.284 172.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -79.8 43.87 1.6 Allowed 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 122.95 2.433 . . . . 0.0 113.128 -174.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.423 ' O ' ' HB ' ' A' ' 51' ' ' VAL . 9.4 pt-20 -153.19 28.76 0.5 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.756 178.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.423 ' HB ' ' O ' ' A' ' 50' ' ' GLU . 89.0 t 76.96 147.07 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.267 175.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.5 m 79.74 149.51 0.1 Allowed 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.977 0.911 . . . . 0.0 111.725 177.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -124.44 32.33 5.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.876 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.45 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 24.6 t-20 -153.89 135.55 8.98 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.011 -177.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 54' ' ' ASN . 11.9 Cg_exo -71.8 59.36 2.78 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 123.345 2.696 . . . . 0.0 112.508 178.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.9 m -57.49 -28.51 31.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.598 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 95.4 mmm -53.17 -34.62 57.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.133 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 58' ' ' ILE . 2.9 mp -71.94 -32.78 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.93 0.395 . . . . 0.0 110.292 -179.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.52 -32.18 70.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.074 0.464 . . . . 0.0 110.19 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.59 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.9 tp10 -71.17 -43.68 67.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.343 174.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.0 tp -53.7 -41.91 67.46 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.891 177.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 63.8 tp -48.58 -47.43 39.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.951 -1.022 . . . . 0.0 112.322 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.59 ' HD3' ' OE1' ' A' ' 60' ' ' GLU . 0.8 OUTLIER -82.56 -25.84 32.95 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.212 -178.112 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.44 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 6.7 mm-40 -79.11 -10.56 59.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.443 ' HD1' ' HB2' ' A' ' 67' ' ' GLN . 0.1 OUTLIER -106.87 97.12 16.39 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.028 -178.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 96.8 Cg_endo -89.19 9.49 3.52 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.812 2.342 . . . . 0.0 111.726 178.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.443 ' HB2' ' HD1' ' A' ' 65' ' ' PHE . 14.4 mm100 -89.27 -22.3 22.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.088 -174.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -134.25 159.78 39.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.259 0.552 . . . . 0.0 112.174 -173.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.65 22.96 13.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.991 -1.004 . . . . 0.0 108.366 171.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.764 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -54.57 154.63 4.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.07 -1.423 . . . . 0.0 114.007 -172.49 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.404 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 1.9 mp0 -92.18 119.79 32.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.668 173.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 45.3 t -84.99 129.52 37.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.015 0.436 . . . . 0.0 110.899 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.514 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -134.46 159.4 41.22 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.673 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.75 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 7.2 p -136.04 150.09 27.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 -179.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.34 169.57 16.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.99 0.424 . . . . 0.0 111.535 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -82.72 23.25 0.82 Allowed 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.49 0.662 . . . . 0.0 110.592 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 54.9 tp 76.74 -60.1 0.48 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.393 1.077 . . . . 0.0 111.439 176.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -77.64 -45.73 24.16 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.956 0.408 . . . . 0.0 110.34 -176.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.551 ' HG2' ' HG2' ' A' ' 23' ' ' GLU . 4.1 tp-100 -54.67 -24.68 22.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.985 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.562 ' OG ' ' HG ' ' A' ' 41' ' ' LEU . 43.3 t -51.1 -36.81 42.25 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.96 178.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -62.35 -43.36 99.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.69 0.281 . . . . 0.0 110.745 -177.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.03 -33.0 74.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.847 177.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.412 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 65.7 mt -68.44 -49.55 64.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.345 177.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.54 ' HA2' ' CE1' ' A' ' 87' ' ' PHE . . . -63.87 -29.95 76.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.049 178.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -68.11 -38.88 82.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.166 0.508 . . . . 0.0 110.73 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.459 ' HA ' ' HE ' ' A' ' 86' ' ' ARG . 2.9 tpm_? -49.7 -48.47 49.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.876 -179.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.54 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 2.6 p90 -107.05 -0.85 22.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.623 0.249 . . . . 0.0 111.212 -178.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 50.28 69.21 0.65 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.591 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 91.6 t -130.55 94.87 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.316 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.2 mmm-85 59.94 -163.87 0.23 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.154 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 68.1 ttt180 -150.97 30.95 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.587 0.708 . . . . 0.0 109.398 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -128.58 154.21 79.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.508 -176.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.591 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 15.4 Cg_endo -57.94 119.79 7.27 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.923 2.416 . . . . 0.0 112.6 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.591 ' H ' ' HB3' ' A' ' 41' ' ' LEU . . . -145.3 172.45 13.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.981 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 35.0 m -114.04 115.62 27.88 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.515 ' O ' HG23 ' A' ' 38' ' ' VAL . 5.3 mp -105.49 127.22 52.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.87 0.367 . . . . 0.0 110.558 -178.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 81.7 t -89.75 116.87 31.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.928 -178.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.427 ' CZ ' HD13 ' A' ' 103' ' ' LEU . 45.3 m-85 -112.61 94.88 5.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.835 178.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 40.5 p -131.7 151.17 51.84 Favored 'General case' 0 C--N 1.311 -1.071 0 C-N-CA 120.881 -0.327 . . . . 0.0 110.215 -176.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.1 t70 69.7 9.4 7.17 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.776 0.673 . . . . 0.0 110.457 -177.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.77 1.8 84.9 Favored Glycine 0 N--CA 1.443 -0.847 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.454 -174.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -115.42 148.13 39.73 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 117.094 0.447 . . . . 0.0 111.809 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.445 HD11 ' HB3' ' A' ' 96' ' ' LEU . 43.1 tp -77.26 102.01 6.5 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 169.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.445 HH11 ' HD3' ' A' ' 104' ' ' ARG . 10.6 mmm180 -74.53 -28.31 60.91 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.929 -174.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 153.08 177.71 26.92 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.392 -0.909 . . . . 0.0 112.547 178.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.472 ' HB2' ' HG ' ' A' ' 96' ' ' LEU . . . -117.86 138.55 52.03 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.831 0.348 . . . . 0.0 110.433 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -104.31 129.51 52.17 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.102 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.4 p -95.86 3.98 53.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.174 0.511 . . . . 0.0 111.527 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -80.44 71.4 2.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.874 177.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 15.3 tt -71.32 -26.93 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -175.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.69 ' HB3' ' HD3' ' A' ' 112' ' ' PRO . 7.0 t-160 -145.01 -54.06 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.487 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.379 -177.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.69 ' HD3' ' HB3' ' A' ' 111' ' ' HIS . 17.0 Cg_exo -67.96 127.0 15.34 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 122.055 1.836 . . . . 0.0 111.648 177.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -98.67 95.28 7.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.036 0.446 . . . . 0.0 110.391 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -147.88 -56.66 0.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.619 176.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -67.35 -25.98 66.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.078 -175.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 20.1 mt -54.33 -36.56 63.9 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.97 -178.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 117' ' ' LEU . 1.4 tm? -66.91 -49.22 66.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.938 0.399 . . . . 0.0 110.095 -177.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 24.6 m -71.29 -41.83 69.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.234 -177.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.63 -40.49 88.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.936 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 43.6 ttm -56.06 -41.46 75.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.624 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 21.2 ttm-85 -54.99 -51.21 66.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.158 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.3 m -75.41 -45.53 38.34 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.332 -177.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 74.6 mt -68.26 -49.25 68.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -173.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.544 ' HB ' ' HG3' ' A' ' 127' ' ' PRO . 19.6 m -115.44 45.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.516 0.674 . . . . 0.0 110.869 -178.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -52.59 -57.02 11.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.487 173.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 55.3 m -121.19 90.65 47.57 Favored Pre-proline 0 N--CA 1.447 -0.614 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.555 175.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.544 ' HG3' ' HB ' ' A' ' 124' ' ' VAL . 23.7 Cg_endo -96.76 -78.07 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.062 0 C-N-CA 123.273 2.648 . . . . 0.0 110.785 168.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -145.47 78.14 1.54 Allowed 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 171.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . 71.72 159.52 0.21 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.246 -173.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -146.87 101.22 3.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.127 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -141.69 148.69 39.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.706 -0.225 . . . . 0.0 111.037 -175.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 24.7 m 76.47 -27.23 0.18 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.08 0.552 . . . . 0.0 112.432 172.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 13.5 p -63.34 -26.59 41.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-O 120.834 0.35 . . . . 0.0 111.652 -177.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 121.28 0.562 . . . . 0.0 110.467 -178.711 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.86 79.69 0.25 Allowed 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.408 0.623 . . . . 0.0 110.059 -175.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -138.45 -161.52 1.19 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.657 -176.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -54.66 112.69 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.026 0.441 . . . . 0.0 111.186 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 m -111.06 122.4 38.03 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.484 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.8 141.94 80.62 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.638 2.225 . . . . 0.0 111.498 176.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 40.6 t80 66.14 33.34 7.5 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.786 0.803 . . . . 0.0 110.18 -178.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.0 m -149.48 40.55 0.85 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.017 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.85 -58.0 3.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.959 0.409 . . . . 0.0 110.711 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.459 ' HG ' ' HB3' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -77.32 -30.42 54.04 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 177.295 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -54.75 -40.39 69.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.009 175.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -69.4 -34.12 74.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.738 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -64.12 -28.23 69.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.077 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.8 mt -64.07 -37.02 85.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.432 177.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mp -64.87 -24.23 67.47 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.538 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.9 m -64.69 -25.84 68.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.253 0.549 . . . . 0.0 110.279 175.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.477 ' NE ' ' HA ' ' A' ' 17' ' ' ARG . 6.9 mmp_? -106.89 -133.95 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.605 178.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.13 -124.83 1.9 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.74 175.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.5 m95 64.21 112.3 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.735 0.779 . . . . 0.0 111.617 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.95 106.98 59.73 Favored Pre-proline 0 C--N 1.317 -0.839 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.932 -178.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.644 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 31.1 Cg_exo -61.82 109.72 0.84 Allowed 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 122.868 2.379 . . . . 0.0 111.844 174.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.7 m -98.75 -173.66 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.88 -174.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -144.03 168.33 20.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.581 -173.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.85 -23.9 31.12 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 168.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.3 m -71.69 -23.89 61.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.155 -0.929 . . . . 0.0 111.064 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.9 p -127.07 16.1 7.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.647 -177.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.9 p -64.3 -40.38 88.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.669 0.271 . . . . 0.0 110.929 -176.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -69.66 -30.1 67.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.241 0.543 . . . . 0.0 110.186 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -78.51 -44.26 24.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.931 -177.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.441 ' CZ2' ' HB2' ' A' ' 73' ' ' ALA . 68.0 t90 -59.87 -51.42 69.8 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.772 -178.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.9 mt -57.62 -39.69 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 121.132 0.491 . . . . 0.0 110.593 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.476 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -64.29 -35.41 80.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.457 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -80.21 -45.44 18.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.804 0.335 . . . . 0.0 110.929 -176.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.417 ' HB ' ' NE2' ' A' ' 71' ' ' GLN . 33.6 m -76.03 -41.71 38.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.311 -174.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.32 -50.65 4.36 Favored Glycine 0 N--CA 1.451 -0.31 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 -177.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -127.01 142.0 51.65 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.476 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . 160.52 -163.04 33.81 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.419 178.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 96' ' ' LEU . 1.8 p -154.2 137.48 7.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.977 0.417 . . . . 0.0 111.779 -176.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.527 HD13 ' CE1' ' A' ' 98' ' ' PHE . 2.3 mp -103.47 120.31 53.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.676 176.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.462 HD22 ' O ' ' A' ' 42' ' ' SER . 0.5 OUTLIER -89.77 116.16 27.66 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.692 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.452 HD12 HG22 ' A' ' 39' ' ' ILE . 10.4 mp -80.63 100.5 8.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.575 0.226 . . . . 0.0 110.891 179.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.462 ' O ' HD22 ' A' ' 40' ' ' LEU . 58.3 m 59.77 174.5 0.08 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.565 -178.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.449 ' O ' ' HD3' ' A' ' 45' ' ' PRO . 21.8 m -91.76 67.38 5.35 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.318 177.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -98.64 108.38 47.98 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.367 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.449 ' HD3' ' O ' ' A' ' 43' ' ' SER . 66.4 Cg_endo -105.0 9.53 0.25 Allowed 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 123.656 2.904 . . . . 0.0 113.503 178.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? 61.2 -157.87 0.33 Allowed 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 -169.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -105.48 106.41 16.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.456 0.646 . . . . 0.0 110.534 175.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 61.6 m -144.23 141.57 18.41 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.273 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.445 ' O ' ' HB2' ' A' ' 50' ' ' GLU . 80.1 Cg_exo -46.49 155.61 0.71 Allowed 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.916 2.41 . . . . 0.0 112.766 175.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 49' ' ' PRO . 47.3 mt-10 69.24 -148.65 0.11 Allowed 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.704 0.627 . . . . 0.0 109.474 -171.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.448 HG13 ' O ' ' A' ' 54' ' ' ASN . 96.1 t 67.81 96.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 O-C-N 123.631 0.582 . . . . 0.0 111.58 177.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.1 m -84.7 -64.86 1.08 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 175.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -145.25 18.11 1.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.815 0.817 . . . . 0.0 109.157 174.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.459 ' HB3' ' HG ' ' A' ' 10' ' ' LEU . 4.5 p-10 -107.73 151.49 41.14 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.18 -174.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -83.12 162.78 15.47 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 122.486 2.124 . . . . 0.0 111.975 174.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.428 ' O ' ' HB3' ' A' ' 57' ' ' MET . 29.5 m -134.07 165.98 30.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.897 177.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.428 ' HB3' ' O ' ' A' ' 56' ' ' VAL . 46.2 ttm 74.82 -48.39 0.64 Allowed 'General case' 0 N--CA 1.471 0.602 0 O-C-N 123.83 0.706 . . . . 0.0 111.734 177.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.416 HD13 HD11 ' A' ' 40' ' ' LEU . 53.6 mt -58.53 -49.4 82.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.6 -178.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 63' ' ' ARG . . . -64.69 -47.03 79.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.076 -177.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -57.87 -49.33 77.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.221 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.9 tp -52.96 -51.22 62.19 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.713 0.768 . . . . 0.0 111.046 178.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.528 ' HG ' ' NE1' ' A' ' 70' ' ' TRP . 9.8 mp -71.12 -15.08 62.49 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.598 -1.183 . . . . 0.0 112.361 -174.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 59' ' ' ALA . 23.9 mtp180 -87.31 -43.48 12.13 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.791 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -92.56 13.2 20.53 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.347 -177.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.461 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 1.3 t80 -81.79 103.8 2.52 Favored Pre-proline 0 C--N 1.33 -0.257 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 172.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 65' ' ' PHE . 2.5 Cg_endo -80.77 -5.11 13.08 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.975 2.45 . . . . 0.0 113.214 -170.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.93 -27.13 16.54 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.394 -174.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.589 ' HZ ' HG11 ' A' ' 124' ' ' VAL . 90.7 m-85 -134.95 145.1 47.84 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -173.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -117.37 65.7 0.73 Allowed 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 164.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.528 ' NE1' ' HG ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -79.25 162.94 25.35 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.545 -172.557 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.417 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 39.0 mt-30 -90.05 122.98 33.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.313 -176.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.5 HG22 HD23 ' A' ' 62' ' ' LEU . 14.3 t -91.7 124.94 44.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.264 -173.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.441 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . . . -116.22 148.58 40.28 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.277 177.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.644 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 8.5 p -139.35 142.66 32.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.78 0.324 . . . . 0.0 110.517 -178.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.518 ' HB1' ' HB2' ' A' ' 79' ' ' GLN . . . -108.67 153.4 23.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.266 177.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.07 -96.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.0 mt -133.71 -52.43 0.86 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.178 -0.327 . . . . 0.0 110.806 -177.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -76.61 -32.91 58.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.023 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.518 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . 84.0 mm-40 -63.52 -39.42 94.38 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 112.179 -175.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.439 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . 31.9 p -54.72 -51.53 65.32 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -175.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -67.95 -33.43 74.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.729 0.3 . . . . 0.0 110.778 -177.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.76 -40.09 88.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.931 0.396 . . . . 0.0 110.42 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 81.3 mt -66.93 -37.7 79.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.304 0.573 . . . . 0.0 109.908 174.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.492 ' HA2' HG23 ' A' ' 89' ' ' VAL . . . -65.17 -27.83 72.82 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.337 177.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -75.48 -34.5 60.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.077 0.465 . . . . 0.0 110.158 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 -47.03 -40.38 14.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.706 -1.133 . . . . 0.0 112.452 -175.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.575 ' CE1' HG22 ' A' ' 89' ' ' VAL . 49.3 p90 -131.2 4.64 4.41 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.887 177.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 64.99 82.12 0.19 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.313 175.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.575 HG22 ' CE1' ' A' ' 87' ' ' PHE . 16.7 t -69.12 -82.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.94 177.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.428 ' O ' ' HB2' ' A' ' 91' ' ' ARG . 10.0 tpp180 -162.08 9.87 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.012 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.428 ' HB2' ' O ' ' A' ' 90' ' ' ARG . 30.7 mmt180 66.07 29.16 10.14 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.586 -173.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.417 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 72.2 m-85 -135.33 146.8 59.44 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.925 176.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 92' ' ' PHE . 14.4 Cg_exo -69.38 137.77 37.39 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.858 2.372 . . . . 0.0 111.938 177.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -152.21 -176.91 5.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.67 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.569 ' HB ' ' HB2' ' A' ' 107' ' ' LEU . 3.7 m -116.65 115.23 25.28 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 38' ' ' VAL . 50.4 mt -98.93 128.54 45.12 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.768 0.285 . . . . 0.0 111.768 -171.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 57.8 t -96.91 124.89 49.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.06 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.527 ' CE1' HD13 ' A' ' 39' ' ' ILE . 93.5 m-85 -121.14 126.95 51.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.025 0.44 . . . . 0.0 110.854 -178.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.1 p -142.64 142.55 32.1 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.683 176.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 65.34 20.32 11.8 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.782 0.325 . . . . 0.0 110.987 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.94 14.56 75.97 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.95 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -123.49 150.08 44.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.643 0.258 . . . . 0.0 110.819 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.417 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 58.7 tp -81.02 119.41 23.48 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 177.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.519 ' HG2' HG23 ' A' ' 123' ' ' ILE . 0.5 OUTLIER -96.99 -26.26 15.08 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.563 -177.125 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 165.62 -170.32 40.41 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.268 -0.968 . . . . 0.0 112.579 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.417 ' HB2' HD23 ' A' ' 96' ' ' LEU . . . -140.94 146.69 37.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.85 0.357 . . . . 0.0 110.903 -178.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.569 ' HB2' ' HB ' ' A' ' 95' ' ' THR . 4.0 mm? -78.42 106.35 10.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.58 178.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.4 m -93.89 98.52 11.11 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.723 175.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -76.05 67.16 2.44 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.749 -177.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 39.1 pt -116.68 2.23 7.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.021 0.439 . . . . 0.0 110.47 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -144.03 151.62 52.82 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.093 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -71.31 -179.72 3.83 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 123.078 2.518 . . . . 0.0 112.808 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 3.7 t-105 -70.05 101.11 1.74 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.528 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -173.08 -47.4 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.345 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -75.22 -1.66 24.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.14 -176.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 47.4 mt -59.55 -35.09 73.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.694 176.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.25 -41.91 94.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.187 -179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 30.8 m -80.07 -43.56 21.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.105 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.33 -48.6 74.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.833 -176.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.527 ' HE2' ' HA ' ' A' ' 120' ' ' MET . 26.0 mmt -68.56 -21.47 64.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.254 -176.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.46 ' O ' ' HD3' ' A' ' 121' ' ' ARG . 2.3 tmt_? -64.83 -32.85 74.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.892 0.377 . . . . 0.0 110.702 -177.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 38.3 t -73.96 -30.37 62.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.016 0.436 . . . . 0.0 110.739 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.519 HG23 ' HG2' ' A' ' 104' ' ' ARG . 60.5 mt -86.34 -50.72 13.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.06 -178.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.589 HG11 ' HZ ' ' A' ' 68' ' ' PHE . 2.3 m -153.27 82.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.883 -177.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -67.94 -32.61 73.18 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 178.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 47.3 m 72.03 120.2 0.03 OUTLIER Pre-proline 0 CA--C 1.531 0.249 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 167.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -70.32 138.9 37.05 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.576 2.184 . . . . 0.0 110.881 171.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 69.75 19.18 7.29 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.294 0.638 . . . . 0.0 111.5 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.2 137.1 41.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.106 176.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.454 ' CD ' ' H ' ' A' ' 130' ' ' GLN . 0.4 OUTLIER -80.16 148.11 31.05 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.99 0.424 . . . . 0.0 111.103 -177.181 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.614 ' HG2' HG13 ' A' ' 133' ' ' VAL . 37.2 tt0 -72.52 96.48 1.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.841 -177.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 64.8 m -91.87 94.44 9.31 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.235 0.54 . . . . 0.0 109.89 176.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.614 HG13 ' HG2' ' A' ' 131' ' ' GLU . 3.7 m -96.12 113.99 31.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.547 -177.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 . . . . . 0 C--N 1.319 -0.728 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.317 174.146 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.7 ttm . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.944 0.402 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.23 100.77 3.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.113 177.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -79.54 -53.07 7.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.684 178.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -110.52 103.63 12.25 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.675 -176.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.454 HG22 ' HD2' ' A' ' 6' ' ' PRO . 3.5 m -88.83 145.13 34.17 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 174.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.454 ' HD2' HG22 ' A' ' 5' ' ' THR . 76.2 Cg_exo -51.15 88.47 0.02 OUTLIER 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 122.947 2.431 . . . . 0.0 113.384 179.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.414 ' HB3' ' H ' ' A' ' 8' ' ' SER . 64.4 m-85 -152.66 -156.67 0.72 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.329 -0.85 . . . . 0.0 108.83 179.017 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.414 ' H ' ' HB3' ' A' ' 7' ' ' PHE . 23.9 m -65.78 -16.8 64.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.758 0.313 . . . . 0.0 110.914 179.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.34 -35.33 73.66 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 175.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.461 ' HG ' HG22 ' A' ' 56' ' ' VAL . 1.5 tm? -67.98 -42.1 81.34 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.47 ' HE3' ' HA ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -61.64 -39.04 89.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.413 176.833 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -60.85 -40.61 93.54 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.857 175.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -61.09 -42.75 99.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.455 HD22 ' CD1' ' A' ' 19' ' ' TRP . 60.9 mt -66.65 -39.25 88.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.213 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 11' ' ' TRP . 96.0 mt -64.72 -26.94 68.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.856 176.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 57.1 m -66.8 -48.89 67.57 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 175.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -172.64 112.08 0.25 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.765 175.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 142.8 153.67 5.95 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.261 176.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.455 ' CD1' HD22 ' A' ' 14' ' ' LEU . 15.4 m95 62.41 -164.67 0.25 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.9 0.381 . . . . 0.0 111.167 177.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -153.65 110.48 2.55 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.004 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -66.68 96.03 0.35 Allowed 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.455 2.104 . . . . 0.0 111.045 172.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.1 m -93.32 170.34 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.379 0.609 . . . . 0.0 112.027 -175.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -148.88 161.23 42.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.715 -1.13 . . . . 0.0 109.043 -175.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.55 -28.52 64.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.004 0.43 . . . . 0.0 110.594 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.4 m -64.09 -30.0 71.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.014 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.6 t -128.26 12.3 6.53 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 120.964 -0.295 . . . . 0.0 111.675 -174.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.0 p -65.95 -34.6 71.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.795 0.331 . . . . 0.0 110.748 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -59.95 -52.99 63.02 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.832 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -61.94 -42.28 98.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.048 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.588 ' O ' HG22 ' A' ' 34' ' ' VAL . 15.9 t90 -59.62 -53.82 53.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.611 -178.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.456 HD11 HD11 ' A' ' 39' ' ' ILE . 45.9 mm -60.39 -42.39 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.245 -178.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -62.09 -49.03 77.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.316 0.579 . . . . 0.0 111.604 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -67.58 -45.92 74.16 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.988 -174.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.588 HG22 ' O ' ' A' ' 30' ' ' TRP . 21.8 m -84.57 -36.55 11.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.816 -174.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.26 -53.02 4.74 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.203 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -116.99 122.39 44.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.012 0.434 . . . . 0.0 110.476 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.62 173.4 46.26 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.373 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.599 HG12 ' HA ' ' A' ' 97' ' ' VAL . 15.5 m -136.23 135.35 49.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.75 0.309 . . . . 0.0 111.21 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.456 HD11 HD11 ' A' ' 31' ' ' ILE . 2.6 mp -102.54 115.05 43.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 173.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 tt -85.97 120.7 27.65 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.455 ' O ' ' HA ' ' A' ' 93' ' ' PRO . 10.6 mp -86.28 105.87 16.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.001 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.9 t 63.68 -171.7 0.17 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.417 175.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.4 m -157.78 -57.99 0.08 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 176.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.414 ' HA ' ' HD2' ' A' ' 45' ' ' PRO . 32.5 t70 58.03 87.44 0.14 Allowed Pre-proline 0 N--CA 1.465 0.297 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.555 178.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.823 ' HB3' HD21 ' A' ' 54' ' ' ASN . 18.8 Cg_endo -60.24 116.93 3.65 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.554 2.169 . . . . 0.0 111.261 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.9 ttt85 -150.24 -80.96 0.11 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.969 -176.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 53.7 ttm-85 -178.62 99.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.043 0.449 . . . . 0.0 110.838 175.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.426 ' C ' ' H ' ' A' ' 50' ' ' GLU . 9.3 m -69.43 146.9 96.76 Favored Pre-proline 0 C--N 1.319 -0.728 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 170.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.419 ' HD2' ' CG2' ' A' ' 48' ' ' THR . 36.5 Cg_endo -66.98 44.24 0.21 Allowed 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 122.866 2.378 . . . . 0.0 112.314 174.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.426 ' H ' ' C ' ' A' ' 48' ' ' THR . 1.9 tm-20 -177.45 144.67 0.4 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 106.645 -1.613 . . . . 0.0 106.645 -176.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.5 m -74.98 60.44 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.623 0.725 . . . . 0.0 112.065 -175.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.433 ' HB3' ' HB2' ' A' ' 57' ' ' MET . 50.7 m -147.21 48.31 1.13 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.807 177.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.535 ' O ' ' HB2' ' A' ' 54' ' ' ASN . 33.4 t70 -63.15 150.76 42.06 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.865 177.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.823 HD21 ' HB3' ' A' ' 45' ' ' PRO . 13.0 m-80 71.95 172.76 0.1 OUTLIER Pre-proline 0 N--CA 1.469 0.509 0 O-C-N 123.353 0.408 . . . . 0.0 110.215 -173.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.664 ' HD2' ' HB3' ' A' ' 54' ' ' ASN . 56.8 Cg_endo -70.98 43.59 0.48 Allowed 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.512 2.142 . . . . 0.0 113.783 -178.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.461 HG22 ' HG ' ' A' ' 10' ' ' LEU . 49.4 t -86.36 -39.21 13.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.136 0.493 . . . . 0.0 110.199 178.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.433 ' HB2' ' HB3' ' A' ' 52' ' ' SER . 1.1 tmt? -63.9 -35.85 82.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.673 -177.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.479 HD13 ' HA ' ' A' ' 55' ' ' PRO . 3.5 mp -60.12 -31.54 48.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -178.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.458 ' O ' ' HG3' ' A' ' 63' ' ' ARG . . . -63.98 -38.79 92.37 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.039 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -74.71 -36.23 62.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.072 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.26 -41.03 87.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.53 177.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.555 HD12 HG21 ' A' ' 72' ' ' VAL . 6.7 tt -56.51 -42.73 78.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.263 177.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 59' ' ' ALA . 48.1 mtp180 -69.89 -16.18 63.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.319 -175.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -95.53 2.4 54.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.189 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.68 88.48 13.81 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.671 0.272 . . . . 0.0 111.037 178.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -90.23 15.32 1.9 Allowed 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.823 2.349 . . . . 0.0 111.527 175.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -75.15 -37.93 61.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.584 -175.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.444 ' CE2' ' HB ' ' A' ' 124' ' ' VAL . 0.1 OUTLIER -159.13 177.51 11.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.1 0.476 . . . . 0.0 112.072 -178.301 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.513 ' HB3' ' HB1' ' A' ' 129' ' ' ALA . 7.2 t70 -110.5 118.67 36.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.326 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -142.83 150.24 39.66 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.248 0.547 . . . . 0.0 111.662 -174.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.566 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 1.9 mp0 -91.24 123.83 34.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.241 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.555 HG21 HD12 ' A' ' 62' ' ' LEU . 53.4 t -92.2 121.4 42.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.372 179.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.98 162.25 21.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.651 -177.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.3 p -145.12 141.2 22.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.516 -177.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.532 ' HB1' ' HB3' ' A' ' 79' ' ' GLN . . . -94.78 130.78 41.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.334 177.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -74.85 86.17 2.23 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -172.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.1 mt 62.57 -75.85 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.945 1.298 . . . . 0.0 112.662 170.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -77.24 -35.89 55.02 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.107 -173.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.532 ' HB3' ' HB1' ' A' ' 75' ' ' ALA . 9.0 tp-100 -58.71 -27.2 64.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.342 -175.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 95.3 p -63.03 -30.95 72.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.408 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.549 ' HA ' ' HB3' ' A' ' 91' ' ' ARG . 34.4 tt0 -60.81 -55.13 36.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -174.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.4 -37.75 85.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.497 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.441 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 70.5 mt -67.07 -51.96 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.753 0.311 . . . . 0.0 110.911 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.496 ' HA3' ' O ' ' A' ' 90' ' ' ARG . . . -66.73 -34.46 87.43 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.728 -177.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -66.53 -31.86 72.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.255 0.55 . . . . 0.0 110.28 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.441 ' HB3' ' O ' ' A' ' 83' ' ' ILE . 8.7 tpm_? -53.51 -43.87 68.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.712 175.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.408 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 5.9 m-85 -83.81 -79.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.013 0.435 . . . . 0.0 109.861 178.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 87' ' ' PHE . 9.1 t30 173.75 20.27 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.451 -175.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.1 t -110.29 -20.39 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.153 0.502 . . . . 0.0 110.151 -174.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.496 ' O ' ' HA3' ' A' ' 84' ' ' GLY . 29.8 ttt180 59.22 -147.37 0.49 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.65 -176.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.549 ' HB3' ' HA ' ' A' ' 81' ' ' GLU . 14.8 ptm180 -95.15 34.82 1.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.095 -0.378 . . . . 0.0 111.568 -177.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.427 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 80.4 m-85 -89.96 140.84 27.69 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 175.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.455 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 35.8 Cg_exo -60.91 118.05 4.88 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.801 2.334 . . . . 0.0 112.828 -177.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -162.99 159.74 23.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.053 178.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.0 m -126.49 116.12 20.61 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.5 ' HB3' HD11 ' A' ' 103' ' ' LEU . 6.1 mp -92.18 137.1 32.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.979 0.419 . . . . 0.0 110.788 -177.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.599 ' HA ' HG12 ' A' ' 38' ' ' VAL . 60.7 t -96.25 108.35 21.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.783 -176.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -103.06 102.93 12.97 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.308 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.469 ' O ' ' HB3' ' A' ' 100' ' ' ASP . 1.2 p -129.73 142.57 50.68 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.551 ' HA ' ' HB2' ' A' ' 128' ' ' ALA . 33.8 t70 73.39 8.82 5.16 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.989 0.899 . . . . 0.0 109.551 -175.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.22 2.05 90.3 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.505 -172.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -113.34 137.31 51.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.801 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.5 HD11 ' HB3' ' A' ' 96' ' ' LEU . 41.4 tp -67.81 107.67 2.7 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 174.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -96.24 -30.74 13.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.715 -172.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -173.96 -174.47 40.87 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.182 -1.009 . . . . 0.0 112.463 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.436 ' HA ' ' HA ' ' A' ' 96' ' ' LEU . . . -150.69 137.37 18.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.692 0.282 . . . . 0.0 110.717 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.638 HD11 HD21 ' A' ' 116' ' ' LEU . 4.2 mm? -104.64 143.5 33.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.952 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.1 t -141.0 -61.68 0.48 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 175.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -92.91 136.68 13.28 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.727 175.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.442 ' O ' ' HB2' ' A' ' 111' ' ' HIS . 50.8 mm -67.97 -45.79 83.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.458 0.129 . . . . 0.0 111.121 -177.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.741 ' HB3' ' HD2' ' A' ' 112' ' ' PRO . 62.7 m80 69.65 173.33 0.09 OUTLIER Pre-proline 0 N--CA 1.47 0.565 0 O-C-N 123.47 0.481 . . . . 0.0 111.519 177.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.741 ' HD2' ' HB3' ' A' ' 111' ' ' HIS . 56.8 Cg_endo -71.86 10.75 0.79 Allowed 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 122.806 2.337 . . . . 0.0 113.221 176.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 78.82 -14.83 0.82 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.641 0.776 . . . . 0.0 111.899 173.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.77 -34.68 73.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.425 0.631 . . . . 0.0 110.767 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.475 ' O ' ' HG ' ' A' ' 119' ' ' LEU . 12.0 mp0 -74.31 -39.74 62.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.952 178.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.638 HD21 HD11 ' A' ' 107' ' ' LEU . 43.6 mt -61.9 -37.1 83.35 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.848 177.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.94 -43.13 99.1 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 177.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 42.0 m -66.18 -38.1 87.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.915 177.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 115' ' ' GLU . 95.5 mt -69.26 -49.63 54.45 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -67.88 -20.26 65.11 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.964 0.411 . . . . 0.0 110.933 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.407 ' HD3' HH11 ' A' ' 121' ' ' ARG . 34.7 ttt180 -63.02 -67.5 0.42 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.382 178.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.7 m -78.39 -45.42 22.43 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -176.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 65.4 mt -78.5 -50.46 19.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 -162.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.444 ' HB ' ' CE2' ' A' ' 68' ' ' PHE . 27.0 m -86.18 29.45 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -168.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.485 ' O ' ' HD3' ' A' ' 127' ' ' PRO . 30.7 t70 -75.26 -35.54 61.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 11.8 p -106.49 100.01 27.75 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.737 -178.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.485 ' HD3' ' O ' ' A' ' 125' ' ' ASP . 84.5 Cg_endo -96.12 171.34 1.1 Allowed 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 123.19 2.593 . . . . 0.0 112.231 175.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.551 ' HB2' ' HA ' ' A' ' 100' ' ' ASP . . . -126.72 10.96 7.2 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.058 0.456 . . . . 0.0 109.772 175.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.513 ' HB1' ' HB3' ' A' ' 69' ' ' ASP . . . -51.57 110.94 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.996 179.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -98.43 28.55 4.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.088 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 71.19 85.37 0.13 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.3 174.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 18.4 m -91.52 -59.78 2.05 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 169.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 48.3 t 66.95 125.18 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 169.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.022 174.727 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.484 1.274 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.46 -55.18 36.63 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -177.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -67.6 125.82 27.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.666 0.269 . . . . 0.0 110.997 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -63.65 110.8 2.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.457 175.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.7 m -130.5 140.96 40.24 Favored Pre-proline 0 C--N 1.317 -0.812 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.135 -173.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -46.47 145.29 6.25 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.71 2.273 . . . . 0.0 112.195 173.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -68.79 160.52 30.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.135 0.493 . . . . 0.0 111.542 -173.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.4 m -55.28 122.11 10.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.989 -175.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.95 -27.14 68.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.976 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 62.2 tp -53.71 -44.01 69.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.577 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.531 ' CZ2' ' HA ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -59.37 -42.0 90.6 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.277 0.56 . . . . 0.0 110.577 -178.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.02 -43.29 88.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.533 179.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.28 -46.29 84.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.467 -177.061 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.5 pp -66.73 -37.98 85.74 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.113 -176.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.515 HD21 ' HZ3' ' A' ' 11' ' ' TRP . 30.7 mt -62.96 -30.04 71.27 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.06 0.457 . . . . 0.0 111.185 177.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.6 m -72.92 -26.3 61.36 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.069 -178.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -97.85 -40.6 8.44 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.967 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.69 -120.97 0.86 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.362 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.1 m95 66.01 -172.78 0.19 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.159 0.504 . . . . 0.0 111.867 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -160.4 119.88 1.6 Allowed Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.909 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.649 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 18.5 Cg_exo -69.14 114.75 3.71 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.382 2.055 . . . . 0.0 110.968 171.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.495 HG13 ' HB1' ' A' ' 73' ' ' ALA . 3.6 m -93.77 159.08 2.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.337 0.589 . . . . 0.0 111.625 -179.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.434 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 50.1 mt-10 -137.43 157.57 46.3 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.434 -177.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.41 -26.72 61.09 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.141 0.496 . . . . 0.0 110.561 -178.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.1 m -64.67 -27.8 69.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.08 -176.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.3 t -134.75 11.94 3.69 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -174.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.434 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 8.3 p -65.05 -37.21 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.943 0.402 . . . . 0.0 111.201 -177.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.01 -47.61 76.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.517 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -72.89 -35.6 67.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.157 -174.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.469 ' O ' HG22 ' A' ' 34' ' ' VAL . 41.3 t90 -61.62 -47.89 83.39 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.454 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.0 mm -62.99 -38.74 82.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.035 0.445 . . . . 0.0 110.555 178.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -59.69 -36.03 75.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.83 177.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.28 -46.11 16.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.642 -176.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 30' ' ' TRP . 28.8 m -77.01 -43.28 32.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -175.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.96 -46.29 2.27 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.976 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -124.73 139.99 53.35 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.765 0.317 . . . . 0.0 110.452 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.46 174.18 33.03 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.026 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.529 HG12 ' HA ' ' A' ' 97' ' ' VAL . 14.8 m -137.32 139.68 43.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.935 0.397 . . . . 0.0 111.311 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.465 HD13 ' CE1' ' A' ' 98' ' ' PHE . 2.2 mp -105.19 117.23 50.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 174.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.408 ' HB3' HG23 ' A' ' 74' ' ' VAL . 5.0 tt -94.27 114.99 27.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.021 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.418 HD12 HG22 ' A' ' 39' ' ' ILE . 10.1 mp -81.51 129.82 34.81 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 175.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.581 ' OG ' ' HA ' ' A' ' 77' ' ' LEU . 65.6 p -64.87 -40.79 95.68 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -172.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.442 ' OG ' ' HB2' ' A' ' 93' ' ' PRO . 14.9 m 58.91 -113.2 0.66 Allowed 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.683 -176.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -165.9 83.91 1.01 Allowed Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -96.53 108.53 0.1 Allowed 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 123.354 2.703 . . . . 0.0 113.409 -177.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.449 ' HD2' ' HA ' ' A' ' 46' ' ' ARG . 13.5 tpt180 -171.22 -55.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.667 173.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.464 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 10.1 mtp180 -77.51 -28.43 52.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.505 -178.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.1 p -113.1 90.25 15.74 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-O 121.184 0.516 . . . . 0.0 111.008 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.464 ' HD3' ' O ' ' A' ' 47' ' ' ARG . 6.3 Cg_exo -79.08 48.73 2.92 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 123.325 2.684 . . . . 0.0 111.851 -179.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.616 ' HB3' HD11 ' A' ' 110' ' ' ILE . 47.2 mt-10 -67.84 -41.43 82.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.487 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.0 m -101.06 73.01 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.192 0.52 . . . . 0.0 110.22 175.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.0 m 68.78 -69.31 0.16 Allowed 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.789 -175.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.0 t70 179.71 -58.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -112.25 162.01 23.39 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.679 172.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -68.31 44.69 0.31 Allowed 'Trans proline' 0 N--CA 1.482 0.807 0 C-N-CA 123.502 2.801 . . . . 0.0 114.087 -177.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.3 t -85.9 -20.82 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.367 0.603 . . . . 0.0 110.071 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.6 ttt -55.94 -36.48 67.8 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.736 -177.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.476 ' H ' HD12 ' A' ' 58' ' ' ILE . 4.0 mp -65.55 -43.33 94.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.974 0.416 . . . . 0.0 110.643 -177.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.55 -32.23 73.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.045 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -74.06 -44.15 55.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.323 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -36.48 83.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.73 -178.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.56 HD22 HG21 ' A' ' 72' ' ' VAL . 56.2 tp -57.64 -36.37 71.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.627 -178.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -57.84 -34.99 70.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.604 -173.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.574 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 15.3 pt-20 -111.24 24.66 12.6 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.821 -177.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -84.66 102.54 2.3 Favored Pre-proline 0 CA--C 1.529 0.142 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 174.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.574 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 92.0 Cg_endo -87.23 4.65 6.02 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.641 2.227 . . . . 0.0 113.29 -171.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.15 -57.3 3.8 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.864 0.364 . . . . 0.0 110.444 -176.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.414 ' N ' ' CD1' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -159.65 155.13 25.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.575 -176.271 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -94.14 72.55 3.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.914 178.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.474 ' CZ3' HG13 ' A' ' 97' ' ' VAL . 0.2 OUTLIER -85.09 169.28 14.07 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.188 0.518 . . . . 0.0 111.997 -176.297 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.433 HE21 ' HB ' ' A' ' 34' ' ' VAL . 2.3 mp0 -85.95 128.78 34.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.902 -175.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.56 HG21 HD22 ' A' ' 62' ' ' LEU . 62.4 t -106.95 122.91 61.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 177.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.495 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -133.76 158.39 43.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.856 -178.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.649 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 12.0 p -138.31 148.16 25.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -177.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.01 151.22 22.41 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 177.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.531 ' HA ' ' CZ2' ' A' ' 11' ' ' TRP . 4.7 m-20 -54.54 -71.71 0.07 Allowed 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.389 0.431 . . . . 0.0 110.953 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.581 ' HA ' ' OG ' ' A' ' 42' ' ' SER . 2.5 pt? -168.22 -42.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.687 176.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -73.92 -48.72 28.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.667 -176.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.419 ' O ' HG13 ' A' ' 83' ' ' ILE . 0.8 OUTLIER -55.63 -28.03 53.02 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.347 -174.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.2 m -50.82 -38.6 49.6 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -74.2 -41.97 60.56 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.167 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.7 -34.53 78.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.307 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.531 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 82.1 mt -69.16 -44.48 80.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.845 0.355 . . . . 0.0 110.327 177.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.59 -31.41 80.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.337 176.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -66.99 -39.13 87.08 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 123.338 0.655 . . . . 0.0 110.774 176.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.531 ' HB3' ' O ' ' A' ' 83' ' ' ILE . 14.8 tpt180 -48.72 -44.25 38.1 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.827 176.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.602 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 6.0 m-85 -85.6 -79.52 0.24 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.602 ' HB2' ' O ' ' A' ' 87' ' ' PHE . 63.3 t30 153.87 35.13 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.72 0 O-C-N 124.822 1.326 . . . . 0.0 108.755 -177.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 42.9 t -81.66 99.42 4.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.064 0.459 . . . . 0.0 110.609 -175.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -96.32 -12.36 24.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.89 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -122.41 99.1 6.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.66 -0.246 . . . . 0.0 111.541 -174.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 64.98 98.83 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.366 0 O-C-N 124.087 0.867 . . . . 0.0 112.846 173.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.442 ' HB2' ' OG ' ' A' ' 43' ' ' SER . 15.5 Cg_exo -69.01 150.21 72.51 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.486 2.124 . . . . 0.0 110.628 171.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -159.77 -159.32 0.72 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.735 0.302 . . . . 0.0 110.779 -170.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.45 HG22 ' HB ' ' A' ' 38' ' ' VAL . 7.7 m -98.4 117.65 33.29 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 176.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.408 HD22 ' N ' ' A' ' 96' ' ' LEU . 3.0 mm? -89.65 134.6 34.07 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.997 0.427 . . . . 0.0 110.81 -177.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.529 ' HA ' HG12 ' A' ' 38' ' ' VAL . 86.4 t -90.32 114.05 27.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.627 -177.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.465 ' CE1' HD13 ' A' ' 39' ' ' ILE . 92.5 m-85 -112.94 124.61 53.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.368 0.604 . . . . 0.0 110.255 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.3 m -146.77 147.24 30.71 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.5 t0 68.23 13.14 9.0 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.476 0.655 . . . . 0.0 110.126 -178.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.06 6.13 89.29 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.476 -174.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -121.12 157.05 30.99 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.876 0.37 . . . . 0.0 111.17 -177.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.451 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 54.2 tp -80.91 116.68 21.01 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 178.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.592 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 0.8 OUTLIER -91.0 -50.06 6.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.998 -176.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -170.42 -146.13 5.02 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.817 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -146.6 165.02 30.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.489 0.185 . . . . 0.0 110.55 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.64 88.99 7.06 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.8 p -106.74 13.47 27.96 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.82 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -79.56 63.36 3.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.362 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.616 HD11 ' HB3' ' A' ' 50' ' ' GLU . 17.7 tt -84.72 -14.81 11.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.694 0.759 . . . . 0.0 110.181 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.45 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 11.5 t-160 -94.11 123.52 58.86 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 111' ' ' HIS . 58.2 Cg_exo -52.78 89.85 0.03 OUTLIER 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 123.602 2.868 . . . . 0.0 114.743 -172.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.462 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.1 OUTLIER 61.1 -161.37 0.29 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.29 -0.868 . . . . 0.0 112.795 172.718 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 72.12 -63.85 0.41 Allowed 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 123.622 0.769 . . . . 0.0 111.084 -174.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -79.75 -19.3 49.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.905 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 113' ' ' TRP . 19.0 mt -59.12 -33.28 70.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.668 175.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 75.6 mt -65.32 -39.43 92.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.015 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.0 m -68.55 -45.03 73.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.65 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 98.0 mt -62.13 -49.94 73.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.004 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 71.4 mtm -62.29 -37.18 84.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.318 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -56.8 -50.75 71.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.708 0.29 . . . . 0.0 111.536 -178.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.0 m -76.69 -34.64 58.19 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.624 HG22 HG13 ' A' ' 124' ' ' VAL . 35.9 mm -83.78 -49.24 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -172.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.624 HG13 HG22 ' A' ' 123' ' ' ILE . 4.6 m -129.57 76.91 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.505 0.669 . . . . 0.0 111.083 -174.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -67.46 -73.85 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.744 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.4 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . 63.7 m 65.75 117.81 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.893 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 126' ' ' THR . 36.9 Cg_exo -59.15 104.28 0.2 Allowed 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.867 2.378 . . . . 0.0 112.836 -178.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 61.12 91.5 0.06 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.823 175.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.17 160.31 32.35 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 173.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -89.56 -57.71 2.78 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.03 -0.268 . . . . 0.0 111.713 -177.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -79.79 108.93 13.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.818 0.342 . . . . 0.0 110.774 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 19.2 p -129.66 -68.16 0.73 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.233 176.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 61.4 t 65.45 96.15 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.253 177.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.932 177.798 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 120.813 0.34 . . . . 0.0 111.289 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 68.67 -64.49 0.31 Allowed 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.431 176.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -56.04 -70.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.573 0.545 . . . . 0.0 110.54 -178.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 47.29 68.97 0.56 Allowed 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 173.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.46 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 6.8 t -115.48 125.3 28.95 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-O 121.139 0.495 . . . . 0.0 109.796 176.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 13.7 Cg_exo -69.86 110.03 2.47 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.929 2.419 . . . . 0.0 112.99 -176.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -137.87 175.43 9.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.785 174.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.2 m 67.06 92.42 0.08 Allowed 'General case' 0 C--N 1.331 -0.224 0 O-C-N 123.85 0.719 . . . . 0.0 111.047 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.67 -28.72 70.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.233 -178.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.07 -29.1 66.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.781 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.61 ' CZ3' ' HG3' ' A' ' 21' ' ' PRO . 0.5 OUTLIER -62.97 -36.11 82.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.429 179.429 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -61.49 -37.83 85.07 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.346 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.413 ' O ' ' HB ' ' A' ' 16' ' ' THR . 26.2 mmt180 -73.38 -28.39 62.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.356 178.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.493 ' HB3' ' HB2' ' A' ' 19' ' ' TRP . 83.4 mt -61.46 -48.37 81.43 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 175.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.17 -30.84 71.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.797 175.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.413 ' HB ' ' O ' ' A' ' 13' ' ' ARG . 67.3 m -58.99 -49.76 76.68 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.409 177.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -69.89 -44.94 68.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.821 0.343 . . . . 0.0 110.565 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.79 38.14 0.14 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.432 -0.89 . . . . 0.0 112.63 178.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.493 ' HB2' ' HB3' ' A' ' 14' ' ' LEU . 12.0 m95 -93.07 124.62 37.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.908 0.385 . . . . 0.0 110.239 179.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -105.08 119.66 52.42 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.82 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.61 ' HG3' ' CZ3' ' A' ' 11' ' ' TRP . 19.2 Cg_exo -68.25 107.59 1.6 Allowed 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.538 2.159 . . . . 0.0 111.386 175.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.502 HG21 HG13 ' A' ' 39' ' ' ILE . 15.3 m -101.1 175.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.586 -176.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.518 ' HB2' HG22 ' A' ' 26' ' ' THR . 42.3 mt-10 -145.52 161.18 40.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.574 -174.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.12 -18.35 60.81 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.095 0.474 . . . . 0.0 110.785 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.6 p -81.93 -18.32 44.03 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.579 -178.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.518 HG22 ' HB2' ' A' ' 23' ' ' GLU . 9.0 t -131.08 12.94 5.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.802 0.334 . . . . 0.0 111.246 -176.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.8 -38.88 83.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.044 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -64.4 -49.83 70.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.142 0.496 . . . . 0.0 110.497 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -65.6 -42.12 92.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.619 -176.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.486 ' O ' HG22 ' A' ' 34' ' ' VAL . 53.9 t90 -60.38 -47.37 86.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.4 -177.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.48 HD11 ' CD1' ' A' ' 39' ' ' ILE . 33.9 mm -62.02 -40.64 88.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.554 178.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.433 ' HD2' ' O ' ' A' ' 32' ' ' LYS . 4.0 tmmm? -58.62 -42.52 88.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.274 178.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -74.04 -47.0 39.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.523 -175.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 30' ' ' TRP . 33.3 m -78.45 -37.11 21.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.0 -0.546 . . . . 0.0 112.006 -174.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.51 -54.51 4.93 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.501 -0.64 . . . . 0.0 111.501 -177.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -124.57 125.79 44.74 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 120.797 0.332 . . . . 0.0 110.292 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.546 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . -178.7 174.22 46.42 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.028 -0.606 . . . . 0.0 111.938 -179.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.553 HG12 ' HA ' ' A' ' 97' ' ' VAL . 13.3 m -133.68 127.21 52.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 O-C-N 122.812 -0.228 . . . . 0.0 111.088 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.659 HG21 HG21 ' A' ' 83' ' ' ILE . 1.9 mp -91.51 116.42 32.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 174.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.528 HD11 HD13 ' A' ' 58' ' ' ILE . 3.8 tt -94.7 130.05 41.35 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.699 178.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.485 ' HB2' ' H ' ' A' ' 94' ' ' ALA . 7.7 mp -91.2 108.76 20.1 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.551 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.476 ' HA ' ' O ' ' A' ' 76' ' ' ASP . 15.5 m 64.26 -95.46 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.31 0.644 . . . . 0.0 112.49 177.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.7 ' HA ' ' HG3' ' A' ' 55' ' ' PRO . 47.6 t -173.9 -74.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 -174.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.533 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 19.8 t70 -167.75 -52.34 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.572 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.533 ' HD2' ' H ' ' A' ' 44' ' ' ASP . 56.2 Cg_endo -71.41 147.2 52.03 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 121.636 1.557 . . . . 0.0 111.961 176.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.429 ' HD2' ' HA ' ' A' ' 46' ' ' ARG . 11.4 tpt180 -108.83 -13.59 14.73 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 177.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 49.6 ttm-85 -161.83 -62.66 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.88 175.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 9.7 m -91.37 117.83 68.07 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 48' ' ' THR . 2.7 Cg_exo -76.62 109.0 2.77 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 123.078 2.519 . . . . 0.0 111.437 175.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.801 ' HG3' HG23 ' A' ' 51' ' ' VAL . 12.3 tp10 -81.54 -74.02 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.633 -178.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.801 HG23 ' HG3' ' A' ' 50' ' ' GLU . 48.5 t -117.54 -30.05 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.44 0.638 . . . . 0.0 109.904 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.1 p -83.23 139.59 33.03 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.237 -175.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -108.69 -61.11 1.65 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 166.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -128.11 159.53 66.46 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 114.609 -1.178 . . . . 0.0 108.704 177.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.7 ' HG3' ' HA ' ' A' ' 43' ' ' SER . 19.2 Cg_exo -66.25 89.65 0.26 Allowed 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.689 2.259 . . . . 0.0 112.739 -176.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.5 m -74.28 -35.52 40.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.75 -178.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 91.7 mtp -55.52 -49.13 73.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.355 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.705 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 4.4 mp -65.83 -45.94 90.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -179.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.41 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -58.29 -38.39 76.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.707 -178.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.478 ' OE2' ' HD2' ' A' ' 63' ' ' ARG . 7.3 tp10 -74.14 -39.62 63.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.519 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -60.84 -41.2 95.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.403 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.705 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 76.3 mt -51.36 -29.65 16.1 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.518 -178.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.478 ' HD2' ' OE2' ' A' ' 60' ' ' GLU . 72.7 mtt180 -65.62 -34.01 77.22 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -173.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -120.53 -1.06 10.17 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -173.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -59.1 107.61 1.04 Allowed Pre-proline 0 N--CA 1.467 0.417 0 CA-C-N 118.195 0.452 . . . . 0.0 110.904 -175.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -89.88 -5.28 5.19 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 123.017 2.478 . . . . 0.0 112.987 -173.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -88.92 -37.7 15.07 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.534 -175.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -136.2 136.42 39.94 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.806 -173.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -103.19 75.41 1.36 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 165.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.546 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . 0.1 OUTLIER -101.46 164.73 11.62 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.853 -1.067 . . . . 0.0 112.115 -172.13 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.43 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 1.7 mp0 -91.11 135.38 33.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.507 176.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.51 HG21 HD13 ' A' ' 62' ' ' LEU . 9.6 t -90.08 129.88 40.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.211 -176.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.459 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . . . -125.96 140.91 52.24 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.913 0.387 . . . . 0.0 110.55 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.578 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 5.5 p -145.39 138.99 21.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.884 179.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.434 ' HB1' ' HB2' ' A' ' 79' ' ' GLN . . . -107.49 154.29 21.59 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.481 ' CG ' ' H ' ' A' ' 77' ' ' LEU . 20.9 p-10 -64.99 -70.78 0.21 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -172.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.481 ' H ' ' CG ' ' A' ' 76' ' ' ASP . 69.0 mt -159.78 -56.9 0.06 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -176.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -71.29 -40.95 70.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.442 -177.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.493 ' O ' HG13 ' A' ' 83' ' ' ILE . 88.4 mm-40 -67.13 -35.79 80.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.42 178.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.6 m -57.7 -46.36 84.44 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.673 176.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -59.12 -43.05 91.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.491 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.48 -38.89 68.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.164 -177.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.659 HG21 HG21 ' A' ' 39' ' ' ILE . 80.9 mt -61.66 -47.35 93.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.596 0.236 . . . . 0.0 110.958 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -66.35 -31.68 79.68 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.429 -0.891 . . . . 0.0 112.003 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.544 ' HB2' ' HD2' ' A' ' 90' ' ' ARG . 18.9 t70 -68.26 -32.33 72.43 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 122.817 0.447 . . . . 0.0 110.69 -178.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -44.51 -45.5 9.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.408 177.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.431 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -101.52 -73.53 0.65 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.678 178.247 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 87' ' ' PHE . 15.8 t-20 170.18 25.12 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.27 0.557 . . . . 0.0 110.001 -173.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.0 t -116.6 28.09 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 122.121 0.962 . . . . 0.0 109.041 -175.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.544 ' HD2' ' HB2' ' A' ' 85' ' ' ASP . 53.7 ttt180 -77.3 76.45 3.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.281 177.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.423 ' HD2' ' HA ' ' A' ' 91' ' ' ARG . 14.7 tpt180 -149.03 78.16 1.38 Allowed 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.225 -175.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.488 ' HB3' ' HD2' ' A' ' 93' ' ' PRO . 86.8 m-85 67.53 172.69 0.09 OUTLIER Pre-proline 0 CA--C 1.539 0.529 0 O-C-N 123.701 0.626 . . . . 0.0 112.006 174.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.488 ' HD2' ' HB3' ' A' ' 92' ' ' PHE . 48.4 Cg_exo -59.63 131.48 40.4 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.553 2.168 . . . . 0.0 112.969 177.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.485 ' H ' ' HB2' ' A' ' 41' ' ' LEU . . . -159.25 -176.56 5.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.426 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.6 m -131.04 121.99 25.99 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.44 ' HB2' ' HE1' ' A' ' 98' ' ' PHE . 62.7 mt -94.23 135.33 35.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.518 -178.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.553 ' HA ' HG12 ' A' ' 38' ' ' VAL . 48.1 t -101.88 117.22 46.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.997 -175.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.532 ' CE2' HD13 ' A' ' 103' ' ' LEU . 68.7 m-85 -119.04 115.38 24.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.354 179.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 100' ' ' ASP . 49.8 p -129.46 150.15 50.93 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 175.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 99' ' ' THR . 10.4 m-20 68.42 12.02 8.57 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.315 0.384 . . . . 0.0 111.26 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 77.86 13.42 83.43 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.034 -0.603 . . . . 0.0 111.825 -172.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -123.82 144.51 49.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.738 0.304 . . . . 0.0 110.877 -177.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.532 HD13 ' CE2' ' A' ' 98' ' ' PHE . 54.1 tp -78.34 122.3 25.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.132 0.491 . . . . 0.0 110.403 178.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -92.88 -42.17 9.65 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.624 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 162.17 -148.92 16.66 Favored Glycine 0 N--CA 1.444 -0.824 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 -178.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -125.82 154.13 43.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.737 0.303 . . . . 0.0 110.778 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 107' ' ' LEU . 0.5 OUTLIER -86.94 92.82 9.15 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 178.068 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 24.7 m -139.53 97.5 3.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 -176.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -106.83 151.07 16.88 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 175.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 34.6 pt -94.99 -10.5 9.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.577 0.703 . . . . 0.0 110.084 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.926 ' HB3' ' HG2' ' A' ' 115' ' ' GLU . 46.7 t60 -125.24 130.66 24.08 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 175.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -41.76 -49.44 5.43 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.618 2.878 . . . . 0.0 114.316 -173.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.574 ' HD1' ' H ' ' A' ' 114' ' ' ALA . 0.9 OUTLIER -141.3 -164.66 1.81 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 177.169 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.574 ' H ' ' HD1' ' A' ' 113' ' ' TRP . . . 71.23 -66.99 0.27 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.63 0.772 . . . . 0.0 111.335 -177.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.926 ' HG2' ' HB3' ' A' ' 111' ' ' HIS . 0.0 OUTLIER -66.58 -22.04 66.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.704 -0.225 . . . . 0.0 110.95 -178.236 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.3 mt -50.19 -34.1 21.53 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.513 176.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.537 ' O ' ' HG3' ' A' ' 121' ' ' ARG . 91.0 mt -70.25 -43.33 70.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.867 0.365 . . . . 0.0 110.215 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.514 ' O ' ' HB2' ' A' ' 121' ' ' ARG . 19.1 m -67.7 -42.95 81.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.728 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 115' ' ' GLU . 3.7 mm? -62.18 -48.37 80.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.52 175.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 46.9 tpp -53.92 -34.96 61.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.252 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.537 ' HG3' ' O ' ' A' ' 117' ' ' LEU . 46.7 mtt180 -53.65 -52.44 59.95 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.113 0.482 . . . . 0.0 111.399 177.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.8 t -66.89 -36.51 82.46 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.169 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 75.3 mt -67.03 -50.28 65.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.858 0.361 . . . . 0.0 111.266 -177.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.0 m -134.44 75.24 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.503 0.668 . . . . 0.0 110.271 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -52.0 -50.69 60.82 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.159 -178.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 12.3 m 57.15 85.13 0.2 Allowed Pre-proline 0 C--N 1.329 -0.321 0 O-C-N 123.923 0.764 . . . . 0.0 111.27 177.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.03 16.1 1.03 Allowed 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 123.039 2.493 . . . . 0.0 112.312 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 71.25 173.67 0.31 Allowed 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.971 0.794 . . . . 0.0 110.79 -176.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -149.41 168.59 23.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.949 -178.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -89.23 119.22 29.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.39 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 71.0 -77.5 0.05 Allowed 'General case' 0 C--O 1.233 0.223 0 O-C-N 124.172 0.92 . . . . 0.0 111.399 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 13.0 t -175.78 170.53 2.82 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -178.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 28.6 m -116.82 8.34 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.188 -178.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 120.915 0.388 . . . . 0.0 110.943 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 70.39 117.71 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 O-C-N 124.084 0.865 . . . . 0.0 112.019 176.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -86.15 -61.23 1.79 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.2 t70 61.51 -82.26 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.994 0.809 . . . . 0.0 111.818 175.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.4 m 67.2 105.15 0.03 OUTLIER Pre-proline 0 C--O 1.234 0.273 0 O-C-N 123.611 0.57 . . . . 0.0 111.679 178.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -82.25 164.75 17.03 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.704 2.27 . . . . 0.0 112.009 177.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -81.24 179.98 7.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.03 0.443 . . . . 0.0 110.938 178.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.6 p -84.22 27.19 0.7 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.173 -175.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.49 -37.62 84.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.114 0.483 . . . . 0.0 110.577 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.9 mt -65.66 -42.19 91.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.609 176.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 22.4 t-105 -70.98 -32.86 69.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.115 -177.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.07 -38.4 82.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.778 176.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -65.01 -29.26 70.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.648 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 77.5 mt -71.56 -45.78 61.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.196 178.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.32 -28.86 70.3 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 176.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.485 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 58.4 m -62.85 -57.15 11.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.788 175.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 16' ' ' THR . 19.1 mtt180 -176.2 119.24 0.14 Allowed 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.576 175.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 156.08 -97.92 0.17 Allowed Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.903 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.567 ' CE3' HG11 ' A' ' 74' ' ' VAL . 46.8 m0 -90.21 129.34 36.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.656 0.265 . . . . 0.0 110.828 178.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -90.73 116.19 65.86 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 173.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.502 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 42.7 Cg_endo -68.93 122.69 9.6 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.6 2.2 . . . . 0.0 112.065 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.7 m -117.33 176.62 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.119 0.485 . . . . 0.0 111.444 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -151.46 170.73 18.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.744 -174.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.96 -22.85 61.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.221 0.534 . . . . 0.0 109.754 173.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 m -63.04 -34.53 77.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.139 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.1 t -122.37 3.25 9.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.837 -174.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.8 p -62.19 -40.2 86.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-O 120.833 0.349 . . . . 0.0 110.922 -176.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -61.4 -53.46 56.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.091 0.472 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.68 -29.69 68.2 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.798 -176.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.645 ' O ' HG22 ' A' ' 34' ' ' VAL . 36.7 t90 -62.25 -56.01 22.76 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.495 HD12 ' HE3' ' A' ' 30' ' ' TRP . 2.0 mp -60.3 -38.41 77.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 CA-C-O 121.036 0.446 . . . . 0.0 110.263 177.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -60.96 -44.87 96.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.363 178.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -81.0 -46.94 14.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.293 -171.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.645 HG22 ' O ' ' A' ' 30' ' ' TRP . 21.8 m -94.88 -35.02 5.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -175.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.07 -52.33 2.86 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.976 177.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.443 ' OD1' ' HA ' ' A' ' 99' ' ' THR . 14.5 m-20 -115.47 153.91 30.26 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.802 0.334 . . . . 0.0 111.109 -174.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.515 ' HA3' ' HH2' ' A' ' 30' ' ' TRP . . . 148.17 -167.09 28.98 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.828 177.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.504 HG12 ' HA ' ' A' ' 97' ' ' VAL . 15.8 m -140.27 146.7 24.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 117.04 0.42 . . . . 0.0 111.284 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.549 HG21 HG21 ' A' ' 83' ' ' ILE . 2.4 mp -118.16 124.6 73.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 173.29 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tt -96.62 118.02 32.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.715 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.51 ' HA ' ' HB2' ' A' ' 80' ' ' SER . 7.5 mp -86.03 129.08 34.95 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 178.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.629 ' HB3' ' HB3' ' A' ' 93' ' ' PRO . 46.6 t 65.53 104.36 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 O-C-N 123.917 0.761 . . . . 0.0 110.48 -175.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 m -52.51 -64.81 0.7 Allowed 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.738 -175.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.405 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 1.2 p-10 -153.42 112.04 2.61 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-O 121.168 0.508 . . . . 0.0 111.19 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 44' ' ' ASP . 14.8 Cg_exo -69.66 -38.81 7.49 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.933 2.422 . . . . 0.0 112.032 177.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.9 mtt-85 56.11 -156.96 0.26 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.234 176.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 53.4 mtm180 75.96 22.24 1.47 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.217 174.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.6 t -138.61 63.81 34.66 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-O 122.069 0.938 . . . . 0.0 109.444 176.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -84.2 42.82 1.25 Allowed 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.751 2.301 . . . . 0.0 113.887 -168.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.25 -49.2 9.0 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 171.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.1 m -83.35 -170.46 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.227 170.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.2 m -70.11 103.55 2.34 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 172.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -63.9 93.97 0.09 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.248 0.546 . . . . 0.0 110.028 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -175.04 144.44 0.82 Allowed Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 -176.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -68.16 59.03 0.96 Allowed 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 122.742 2.295 . . . . 0.0 113.22 177.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 m -83.33 111.97 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.337 0.589 . . . . 0.0 111.176 177.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.436 ' HB3' HD12 ' A' ' 58' ' ' ILE . 37.1 ttm 176.59 -59.6 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.756 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.444 ' H ' HD12 ' A' ' 58' ' ' ILE . 3.7 mp -65.96 -33.27 62.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.265 -178.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.474 ' O ' ' HG2' ' A' ' 63' ' ' ARG . . . -61.33 -51.23 69.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.623 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.578 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 2.2 mp0 -60.26 -43.25 96.33 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.694 178.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.9 mt -52.24 -51.24 59.49 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.26 0.553 . . . . 0.0 111.172 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 45.5 tp -61.98 -34.73 76.69 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.61 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' A' ' 59' ' ' ALA . 24.1 mmt180 -75.97 -36.95 59.08 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -174.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.578 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 13.2 pt-20 -111.85 24.93 12.12 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -175.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -79.0 108.1 7.52 Favored Pre-proline 0 C--N 1.33 -0.243 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 177.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 90.3 Cg_endo -94.95 15.38 1.13 Allowed 'Trans proline' 0 N--CA 1.455 -0.765 0 C-N-CA 123.033 2.488 . . . . 0.0 113.306 -174.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.24 -66.49 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.649 -176.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.463 ' HE2' HG11 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -144.94 177.83 8.47 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -175.209 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -109.12 116.25 31.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.267 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -140.04 179.18 6.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.936 0.398 . . . . 0.0 111.611 -175.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.417 HE21 ' HB ' ' A' ' 34' ' ' VAL . 1.9 mp0 -91.92 140.43 29.67 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.872 -174.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.9 p -110.87 130.97 63.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.046 176.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -143.41 143.28 31.56 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.091 0.472 . . . . 0.0 111.374 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.567 HG11 ' CE3' ' A' ' 19' ' ' TRP . 25.3 m -129.24 144.69 37.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 177.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.495 ' HB3' ' HB3' ' A' ' 80' ' ' SER . . . -103.76 156.51 17.76 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.851 -173.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.555 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 10.1 t70 -56.94 139.18 52.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.829 174.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.7 tt -52.56 -43.09 65.0 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.273 0.358 . . . . 0.0 110.995 -176.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -77.86 -53.37 7.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.974 0.416 . . . . 0.0 110.786 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.555 ' HB2' ' HB3' ' A' ' 76' ' ' ASP . 14.1 mm100 -62.63 -24.04 67.39 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -172.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.51 ' HB2' ' HA ' ' A' ' 41' ' ' LEU . 22.6 p -68.87 -20.73 64.27 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -176.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -65.04 -43.32 92.75 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.191 0.52 . . . . 0.0 109.883 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.2 -28.31 69.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.186 176.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.585 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 52.5 mt -65.41 -47.71 85.85 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.173 0 CA-C-O 120.904 0.383 . . . . 0.0 110.29 177.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.93 -40.51 99.37 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.387 -0.911 . . . . 0.0 111.594 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -65.09 -35.81 82.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.921 0.391 . . . . 0.0 110.853 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.585 ' HB3' ' O ' ' A' ' 83' ' ' ILE . 8.9 tpt180 -46.34 -48.23 18.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.279 175.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.488 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 9.1 m-85 -82.99 -77.71 0.23 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 177.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.488 ' HB2' ' O ' ' A' ' 87' ' ' PHE . 6.2 t30 171.16 24.96 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.218 -177.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 46.8 t -117.71 111.24 33.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 121.861 -0.524 . . . . 0.0 110.887 -172.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 90' ' ' ARG . 16.3 ttm180 -137.92 86.07 2.15 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 175.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 -165.77 82.09 0.31 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.248 -176.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 69.63 163.9 0.14 Allowed Pre-proline 0 N--CA 1.469 0.513 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.171 175.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.629 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 22.8 Cg_exo -66.53 140.0 55.64 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.865 2.377 . . . . 0.0 112.287 177.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -157.19 161.31 39.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.421 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.8 m -109.04 120.15 41.68 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 177.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 82.4 mt -92.75 131.79 37.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.724 -177.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.504 ' HA ' HG12 ' A' ' 38' ' ' VAL . 58.6 t -97.53 114.29 34.29 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.805 -178.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -108.96 120.39 42.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.152 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.491 ' OG1' ' HG3' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -146.26 143.63 29.32 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.808 177.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.0 t70 72.04 10.84 6.1 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.723 0.773 . . . . 0.0 109.903 -178.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.08 4.17 90.33 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.544 -174.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -115.13 150.46 35.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.942 0.401 . . . . 0.0 111.08 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 45.8 tp -79.6 109.25 13.81 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 173.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.491 ' HG3' ' OG1' ' A' ' 99' ' ' THR . 22.0 mmm180 -94.56 -47.24 6.62 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.579 -169.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -155.11 179.47 31.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.259 -0.972 . . . . 0.0 112.241 -177.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -147.68 134.13 19.7 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.746 0.308 . . . . 0.0 110.738 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 107' ' ' LEU . 4.2 mm? -70.61 103.29 2.48 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 177.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.7 m -107.97 118.25 36.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.678 -178.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 137.0 168.39 11.37 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.035 178.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 8.4 tp -77.08 -34.0 21.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-O 121.315 0.578 . . . . 0.0 110.503 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -165.05 88.38 1.01 Allowed Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 175.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.402 ' HB2' ' H ' ' A' ' 113' ' ' TRP . 6.8 Cg_exo -72.85 -94.86 0.01 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.658 2.239 . . . . 0.0 113.66 -172.145 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.778 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.2 OUTLIER 57.4 -163.2 0.19 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.887 -169.858 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 64.31 -73.09 0.05 Allowed 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 122.856 0.463 . . . . 0.0 111.635 -177.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.487 ' O ' HD23 ' A' ' 119' ' ' LEU . 12.4 pt-20 -75.42 -6.79 51.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.763 0.316 . . . . 0.0 110.343 178.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.778 HD12 ' HA ' ' A' ' 113' ' ' TRP . 2.1 mt -55.0 -33.62 62.76 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.231 176.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 117' ' ' LEU . 4.1 mm? -67.92 -33.27 74.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.023 0.44 . . . . 0.0 110.454 178.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.9 m -74.44 -45.26 47.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.1 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 115' ' ' GLU . 3.5 mm? -60.07 -49.76 76.4 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.433 179.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 45.8 ttm -54.37 -45.76 72.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -178.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 -61.06 -54.7 41.48 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.238 178.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.9 m -58.81 -40.79 85.14 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.952 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.588 HG22 HG13 ' A' ' 124' ' ' VAL . 68.7 mt -74.01 -49.68 32.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.471 -178.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.588 HG13 HG22 ' A' ' 123' ' ' ILE . 3.1 m -140.58 86.14 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-O 121.727 0.775 . . . . 0.0 110.971 -175.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -69.92 -38.68 76.32 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.148 173.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 15.0 m 48.25 74.89 0.73 Allowed Pre-proline 0 CA--C 1.532 0.286 0 CA-C-N 114.74 -1.118 . . . . 0.0 111.97 176.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -69.39 102.4 0.96 Allowed 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.455 2.103 . . . . 0.0 111.592 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.428 ' HA ' ' OE1' ' A' ' 134' ' ' GLN . . . -70.07 124.98 25.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.734 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.555 ' HB3' HG21 ' A' ' 132' ' ' THR . . . -131.44 171.15 13.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.605 -178.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -113.58 120.24 40.25 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.774 -172.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 61.1 27.26 17.1 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.406 0.683 . . . . 0.0 112.554 177.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.555 HG21 ' HB3' ' A' ' 129' ' ' ALA . 10.5 t -95.94 14.5 23.35 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.917 0.389 . . . . 0.0 110.291 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 21.9 t 64.37 57.11 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 122.125 0.964 . . . . 0.0 109.223 -175.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.428 ' OE1' ' HA ' ' A' ' 128' ' ' ALA . 27.9 tt0 . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.087 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.646 0.26 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.22 124.52 32.71 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 176.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -76.79 119.96 21.29 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.954 0.407 . . . . 0.0 111.105 -177.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -152.32 -71.83 0.15 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 174.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.438 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 28.0 m 63.2 92.92 0.06 OUTLIER Pre-proline 0 CA--C 1.531 0.231 0 CA-C-N 115.342 -0.844 . . . . 0.0 112.217 173.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 5' ' ' THR . 18.5 Cg_endo -60.62 -62.61 0.14 Allowed 'Trans proline' 0 CA--C 1.531 0.375 0 C-N-CA 122.295 1.996 . . . . 0.0 112.033 175.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -138.67 -105.22 0.18 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.902 0.382 . . . . 0.0 111.303 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.4 p -87.23 20.75 2.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.099 0.475 . . . . 0.0 112.24 -174.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.59 -28.27 68.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -59.46 -45.78 90.64 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.354 -177.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.487 ' CZ2' ' HG ' ' A' ' 15' ' ' LEU . 12.1 t-105 -58.27 -43.29 87.89 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.141 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -54.83 -38.55 67.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.487 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.48 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 2.2 mpt_? -74.74 -36.32 62.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.34 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 70.8 mt -68.26 -31.59 71.17 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.882 0.373 . . . . 0.0 110.928 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.487 ' HG ' ' CZ2' ' A' ' 11' ' ' TRP . 1.4 mt -58.26 -29.45 65.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.648 175.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.2 m -76.97 -50.3 13.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.836 175.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -159.93 109.5 1.81 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.446 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 141.44 113.77 1.03 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.039 -0.6 . . . . 0.0 112.045 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 45.0 m0 66.79 -176.52 0.2 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.949 0.404 . . . . 0.0 110.323 -178.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.415 ' O ' ' HB1' ' A' ' 73' ' ' ALA . 64.2 tt0 -125.88 125.77 24.85 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.469 -177.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.549 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 31.8 Cg_endo -67.58 105.35 1.07 Allowed 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.4 2.067 . . . . 0.0 111.615 174.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.554 HG21 HG13 ' A' ' 39' ' ' ILE . 9.8 m -81.17 151.41 4.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.813 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.454 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 37.7 mt-10 -131.11 160.44 34.69 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.843 -174.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.56 -27.58 60.57 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.023 0.439 . . . . 0.0 110.279 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.5 m -61.44 -28.76 69.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.672 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.9 t -136.07 18.64 3.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.833 0.349 . . . . 0.0 111.313 -174.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.454 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 8.8 p -63.7 -41.79 93.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -173.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -77.19 -35.94 55.33 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.902 -177.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.621 ' O ' ' HB2' ' A' ' 33' ' ' ARG . 18.2 t70 -61.86 -47.81 83.37 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 176.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.528 ' O ' HG22 ' A' ' 34' ' ' VAL . 61.2 t90 -54.75 -43.08 72.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.487 -178.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.55 HD11 ' CD1' ' A' ' 39' ' ' ILE . 33.9 mm -66.83 -55.02 19.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.965 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.525 ' HE3' ' HA ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -67.94 -20.26 65.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.191 0.52 . . . . 0.0 111.299 -176.806 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.621 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 23.3 ttt180 -70.19 -44.83 67.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.59 -178.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 30' ' ' TRP . 15.8 m -96.3 -32.58 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.692 -178.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.46 -53.48 0.73 Allowed Glycine 0 N--CA 1.453 -0.233 0 N-CA-C 111.671 -0.572 . . . . 0.0 111.671 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -119.95 154.51 34.37 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.686 0.279 . . . . 0.0 110.352 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.37 -166.07 37.6 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.606 -0.807 . . . . 0.0 111.761 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 96' ' ' LEU . 2.1 p -158.01 138.1 4.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.365 0.602 . . . . 0.0 111.577 -177.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.554 HG13 HG21 ' A' ' 22' ' ' VAL . 2.1 mp -112.21 119.66 60.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.257 174.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 tt -94.67 114.72 26.7 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.404 HD12 HG22 ' A' ' 39' ' ' ILE . 8.1 mp -82.9 125.34 31.25 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 178.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.9 m -84.72 -74.86 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.287 -175.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.6 m 71.71 -38.74 0.43 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.451 0.7 . . . . 0.0 112.629 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.9 t70 70.78 109.35 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.458 0 C-N-CA 123.414 0.686 . . . . 0.0 110.378 -177.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -61.88 -30.78 84.47 Favored 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 122.738 2.292 . . . . 0.0 112.529 -177.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.6 ttp180 67.26 -62.45 0.32 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.702 0.801 . . . . 0.0 111.133 -178.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.515 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 9.8 tpt180 -73.3 140.41 46.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.339 178.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.3 m -101.71 99.83 12.8 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.081 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.515 ' HD3' ' O ' ' A' ' 47' ' ' ARG . 92.3 Cg_endo -94.67 175.09 1.21 Allowed 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 122.891 2.394 . . . . 0.0 112.293 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -65.0 132.57 49.59 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 174.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.8 t 60.65 74.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -169.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.0 m -73.62 134.9 43.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.462 -174.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.405 ' OD2' ' HG2' ' A' ' 93' ' ' PRO . 20.7 t70 -71.74 145.53 48.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.665 177.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -163.36 115.92 1.06 Allowed Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.44 42.62 0.68 Allowed 'Trans proline' 0 CA--C 1.533 0.433 0 C-N-CA 123.158 2.572 . . . . 0.0 113.655 -175.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.0 m -97.67 -31.12 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.382 0.61 . . . . 0.0 110.333 174.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.9 mtt -58.39 -33.76 69.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.391 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.51 ' H ' HD12 ' A' ' 58' ' ' ILE . 4.3 mp -61.71 -35.46 67.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -177.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.17 -38.66 89.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 111.239 -177.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -75.41 -30.11 59.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.015 0.436 . . . . 0.0 110.195 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.64 -37.05 65.19 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.668 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.877 HD21 HG21 ' A' ' 72' ' ' VAL . 11.2 mp -46.44 -41.43 13.83 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.914 -0.585 . . . . 0.0 112.212 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.412 ' HD2' HH11 ' A' ' 63' ' ' ARG . 36.2 mtp85 -83.34 -27.24 29.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.963 0.411 . . . . 0.0 111.206 -173.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.435 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 30.3 mm-40 -94.26 2.7 55.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.534 -175.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -95.09 105.91 22.32 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.981 0.42 . . . . 0.0 110.34 178.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 10.7 Cg_endo -89.74 16.06 1.82 Allowed 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 123.596 2.864 . . . . 0.0 112.304 -177.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -99.79 -46.88 5.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.317 -175.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.674 ' HZ ' HG11 ' A' ' 124' ' ' VAL . 56.3 m-85 -132.42 165.88 23.28 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 121.313 0.578 . . . . 0.0 112.389 -169.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -115.31 32.71 5.88 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.497 -1.298 . . . . 0.0 107.497 169.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -59.51 166.5 2.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 114.119 -1.4 . . . . 0.0 113.811 -170.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -92.94 117.73 30.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.613 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.877 HG21 HD21 ' A' ' 62' ' ' LEU . 28.0 m -95.5 134.49 32.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.393 -176.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.43 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -144.26 172.7 12.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.397 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.549 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 2.1 p -145.13 144.04 21.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.157 -177.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.23 152.71 20.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.909 -177.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -69.12 163.24 25.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.769 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.9 tt -54.92 -60.32 3.53 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.932 -175.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -70.51 -38.68 74.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.754 0.312 . . . . 0.0 111.172 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -61.89 -24.66 67.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.595 -178.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.3 t -53.75 -39.97 65.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.915 174.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -63.53 -46.63 85.15 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.881 0.372 . . . . 0.0 110.363 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.96 96.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.347 -178.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.474 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 60.6 mt -69.54 -41.93 80.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.382 179.194 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.43 -39.76 97.18 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.843 178.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -63.29 -31.66 72.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.044 0.45 . . . . 0.0 110.923 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.474 ' HB3' ' O ' ' A' ' 83' ' ' ILE . 8.7 tpt180 -46.65 -46.16 19.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.367 176.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.501 ' CD1' ' HB ' ' A' ' 89' ' ' VAL . 1.5 p90 -122.43 14.61 10.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.926 -177.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.8 t30 62.9 27.89 16.15 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.501 0.667 . . . . 0.0 111.8 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.501 ' HB ' ' CD1' ' A' ' 87' ' ' PHE . 59.6 t -117.43 94.31 3.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.188 0.518 . . . . 0.0 110.087 177.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -132.26 14.17 4.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.17 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 33.6 mtp85 -81.33 101.55 9.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.073 -174.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 71.33 156.31 0.16 Allowed Pre-proline 0 N--CA 1.468 0.448 0 O-C-N 124.301 1.001 . . . . 0.0 110.735 -176.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.405 ' HG2' ' OD2' ' A' ' 53' ' ' ASP . 19.2 Cg_exo -66.39 105.35 0.87 Allowed 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.117 1.878 . . . . 0.0 110.923 175.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -110.36 146.51 35.67 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.313 -173.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.6 m -107.11 115.43 30.16 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 175.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.48 ' O ' HG23 ' A' ' 38' ' ' VAL . 94.1 mt -93.12 135.96 33.83 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -171.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 62.0 t -92.06 120.93 42.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.485 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.416 ' CZ ' HD13 ' A' ' 103' ' ' LEU . 95.4 m-85 -121.89 114.48 21.08 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.462 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 72.2 p -138.36 165.42 26.81 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 169.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 65.21 12.24 7.86 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.805 0.336 . . . . 0.0 110.602 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 69.79 16.0 71.87 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.021 -0.609 . . . . 0.0 111.888 -171.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -123.11 170.9 9.73 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.889 0.376 . . . . 0.0 110.792 -177.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.416 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 55.6 tp -91.9 114.53 27.1 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 174.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.455 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 0.8 OUTLIER -95.93 -34.29 11.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.359 -173.302 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 171.11 -152.61 18.71 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.671 -178.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.428 ' HB2' HD23 ' A' ' 96' ' ' LEU . . . -150.3 160.06 43.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.749 0.275 . . . . 0.0 110.8 -179.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.12 91.51 8.45 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 175.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.5 m -113.25 93.2 4.29 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.481 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -74.3 124.79 8.42 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.005 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.709 HG23 ' HD2' ' A' ' 111' ' ' HIS . 16.3 tt -106.38 -23.46 4.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.576 0.703 . . . . 0.0 109.607 178.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.709 ' HD2' HG23 ' A' ' 110' ' ' ILE . 39.7 m-70 -127.82 162.3 50.31 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 174.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -69.51 85.08 0.59 Allowed 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.134 1.889 . . . . 0.0 111.488 173.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 67.9 -170.74 0.19 Allowed 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.651 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 78.22 -54.19 0.49 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.885 0.874 . . . . 0.0 111.814 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.561 ' CG ' ' HB2' ' A' ' 111' ' ' HIS . 0.0 OUTLIER -76.73 -22.26 54.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.573 0.225 . . . . 0.0 111.311 -178.253 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.9 mt -56.5 -32.82 65.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.339 175.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.73 -35.92 82.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.201 0.524 . . . . 0.0 110.074 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.5 m -79.08 -39.0 34.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.138 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.4 -48.69 79.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.522 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 13.8 tmm? -57.34 -48.25 79.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.491 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -24.97 64.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.773 -177.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 19.2 t -76.98 -37.23 55.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.792 0.329 . . . . 0.0 111.08 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 83.8 mt -78.98 -49.82 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.844 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.674 HG11 ' HZ ' ' A' ' 68' ' ' PHE . 5.8 m -125.97 73.7 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.772 0.796 . . . . 0.0 110.588 -178.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -54.79 -46.98 74.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.059 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 21.7 m 64.19 92.04 0.07 OUTLIER Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.142 174.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -78.99 105.56 1.95 Allowed 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 122.48 2.12 . . . . 0.0 111.58 175.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 73.29 158.3 0.2 Allowed 'General case' 0 N--CA 1.469 0.487 0 O-C-N 123.846 0.716 . . . . 0.0 111.388 -177.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . 65.49 22.81 11.86 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.505 0.669 . . . . 0.0 110.328 -175.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -96.21 107.66 20.03 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.396 -175.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -75.05 -66.34 0.77 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.224 -0.191 . . . . 0.0 110.562 178.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 26.0 p 52.76 -91.26 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.741 0.816 . . . . 0.0 112.466 -175.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 34.0 t 57.2 74.79 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 121.606 0.717 . . . . 0.0 109.686 -174.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 . . . . . 0 C--N 1.32 -0.694 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.657 -176.344 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.9 mtp . . . . . 0 N--CA 1.478 0.946 0 CA-C-O 120.761 0.315 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.73 101.59 12.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.077 176.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -117.36 103.32 10.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.14 0.495 . . . . 0.0 110.135 -177.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.56 ' HB3' ' HG3' ' A' ' 6' ' ' PRO . 15.4 t70 -86.79 -21.82 26.27 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.834 176.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.439 ' N ' ' HD3' ' A' ' 6' ' ' PRO . 5.3 m 57.82 59.89 6.56 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.407 -170.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.787 ' HG2' ' HB2' ' A' ' 9' ' ' ALA . 7.1 Cg_endo -90.44 -3.35 5.13 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 123.51 2.807 . . . . 0.0 113.215 -171.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 72.87 -46.35 0.65 Allowed 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.765 0.826 . . . . 0.0 111.369 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.654 ' HB2' ' HB2' ' A' ' 11' ' ' TRP . 36.0 p -152.78 68.45 0.83 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.043 0.449 . . . . 0.0 110.956 179.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.787 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -69.5 -50.68 42.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.656 -179.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.607 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 47.4 tp -67.76 -31.65 71.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.094 -178.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.654 ' HB2' ' HB2' ' A' ' 8' ' ' SER . 0.0 OUTLIER -53.72 -35.59 61.35 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 122.894 0.478 . . . . 0.0 111.211 -179.094 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -62.19 -45.45 93.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.143 0.497 . . . . 0.0 110.519 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.473 ' HD3' ' HA ' ' A' ' 13' ' ' ARG . 32.4 mmt180 -73.87 -27.53 61.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.212 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 56.2 mt -63.27 -38.54 91.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.075 0.464 . . . . 0.0 109.868 175.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.474 HD21 ' HZ3' ' A' ' 11' ' ' TRP . 59.8 mt -67.26 -25.34 66.02 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.274 175.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 30.6 m -63.93 -43.71 95.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.894 -178.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.97 131.19 6.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.746 0.308 . . . . 0.0 110.914 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.53 -77.85 0.38 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.767 172.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.538 ' CD1' HD22 ' A' ' 14' ' ' LEU . 59.6 m95 -69.31 125.95 28.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.439 0.638 . . . . 0.0 111.52 -171.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.68 ' HA ' HE21 ' A' ' 20' ' ' GLN . 0.1 OUTLIER -119.14 130.67 24.71 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.811 177.301 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.671 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 21.0 Cg_exo -65.55 111.73 1.95 Allowed 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.438 2.092 . . . . 0.0 111.791 176.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.515 HG13 ' HB1' ' A' ' 73' ' ' ALA . 4.6 m -81.01 -177.83 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.529 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.466 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 45.6 mt-10 -140.34 167.8 21.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.389 -173.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.68 -65.32 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -173.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.6 m -80.01 3.43 20.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.839 0.352 . . . . 0.0 111.052 -174.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.5 m -124.85 8.94 8.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.188 0.518 . . . . 0.0 110.598 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.519 ' O ' HG12 ' A' ' 31' ' ' ILE . 14.7 p -68.64 -41.26 82.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.729 -177.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -77.13 -26.11 52.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.233 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -67.87 -39.6 83.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.057 176.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.465 ' O ' HG22 ' A' ' 34' ' ' VAL . 63.3 t90 -67.17 -43.12 83.01 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.34 176.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' ' 27' ' ' VAL . 40.6 mm -61.15 -44.08 97.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 110.832 178.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.468 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -66.89 -23.78 66.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 176.854 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -80.78 -45.59 16.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.218 0.533 . . . . 0.0 111.031 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.634 ' HB ' ' NE2' ' A' ' 71' ' ' GLN . 33.5 m -89.96 -32.64 5.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.175 -175.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.15 -56.59 3.24 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 112.107 -0.397 . . . . 0.0 112.107 178.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -131.52 116.46 17.47 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.02 0.438 . . . . 0.0 110.415 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.31 -167.13 29.44 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.01 -177.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.553 ' HB ' ' CZ3' ' A' ' 70' ' ' TRP . 2.7 p -151.14 141.49 15.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.257 0.551 . . . . 0.0 112.138 -177.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.461 ' CD1' HD11 ' A' ' 31' ' ' ILE . 2.0 mp -110.11 122.99 65.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 174.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.497 ' HG ' HD13 ' A' ' 58' ' ' ILE . 1.2 tm? -96.94 119.17 34.92 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 176.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.434 ' HB3' ' OG ' ' A' ' 80' ' ' SER . 6.0 mp -99.68 150.01 22.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.063 -172.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.9 m 72.91 137.73 0.05 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.159 -0.928 . . . . 0.0 112.888 173.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.8 p -94.3 -7.6 41.44 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.422 178.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.43 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 5.7 p-10 -166.8 153.38 8.16 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.703 -176.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.632 ' HA ' ' HG3' ' A' ' 93' ' ' PRO . 2.5 Cg_endo -85.06 -166.24 0.34 Allowed 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.009 2.473 . . . . 0.0 111.725 178.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -83.02 47.01 1.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.726 0.775 . . . . 0.0 109.509 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 47' ' ' ARG . 13.8 ttm-85 -169.82 155.82 5.98 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 -176.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.441 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 5.3 t -61.59 134.34 93.69 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 120.87 0.367 . . . . 0.0 110.445 176.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.479 ' HB2' ' HA ' ' A' ' 52' ' ' SER . 7.0 Cg_exo -74.01 -3.42 13.76 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.919 2.413 . . . . 0.0 112.502 -178.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 64.94 -81.19 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.247 0 O-C-N 123.743 0.652 . . . . 0.0 111.35 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.78 -35.88 73.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.961 0.41 . . . . 0.0 109.899 177.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.479 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 16.0 m 56.16 60.91 2.95 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.235 -0.893 . . . . 0.0 113.023 172.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -154.85 97.83 1.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.942 174.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 63.94 94.44 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.382 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.488 173.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -86.21 42.8 1.0 Allowed 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.653 2.236 . . . . 0.0 111.961 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.5 m -94.93 106.21 17.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.793 0.806 . . . . 0.0 111.636 -176.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.546 ' HG2' HD23 ' A' ' 61' ' ' LEU . 48.8 ttm -84.01 -21.01 31.81 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.691 178.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.497 HD13 ' HG ' ' A' ' 40' ' ' LEU . 2.2 mp -63.42 -28.68 45.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 114.955 -1.021 . . . . 0.0 111.053 -177.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.7 -49.41 70.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.223 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -75.66 -45.62 36.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.171 0.51 . . . . 0.0 110.087 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.546 HD23 ' HG2' ' A' ' 57' ' ' MET . 1.5 mm? -53.26 -44.09 67.92 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.085 -178.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.5 tp -48.92 -50.05 37.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.234 -175.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -88.33 3.18 50.64 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -172.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -121.7 4.78 10.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.249 0.547 . . . . 0.0 110.015 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.445 ' CD2' ' HB2' ' A' ' 67' ' ' GLN . 1.3 t80 -80.2 113.38 38.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.737 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.38 -12.13 27.14 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.834 2.356 . . . . 0.0 112.678 -175.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.447 ' OE1' ' HB ' ' A' ' 126' ' ' THR . 47.8 mm-40 -74.07 -67.52 0.6 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -167.39 -178.91 4.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.043 0.449 . . . . 0.0 111.621 -173.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -109.73 138.49 46.01 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 169.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.553 ' CZ3' ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -141.73 160.45 40.15 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.056 -168.549 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.634 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 36.1 mt-30 -78.26 113.17 15.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.017 -171.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.8 m -92.23 140.81 15.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.739 -174.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.515 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -143.34 150.67 39.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.708 177.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.671 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 10.8 p -145.18 158.22 13.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -178.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.429 ' HB1' ' HB2' ' A' ' 79' ' ' GLN . . . -114.57 170.14 8.53 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 177.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -64.71 -67.21 0.45 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.997 0.427 . . . . 0.0 109.864 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.498 ' HG ' ' N ' ' A' ' 78' ' ' GLU . 2.5 pt? -174.45 -45.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.229 177.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.498 ' N ' ' HG ' ' A' ' 77' ' ' LEU . 36.6 tt0 -64.88 -38.41 90.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.261 -175.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.429 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . 21.4 mp0 -61.35 -27.76 68.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.412 -177.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.434 ' OG ' ' HB3' ' A' ' 41' ' ' LEU . 30.3 t -52.69 -36.7 57.71 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 123.237 0.336 . . . . 0.0 111.878 -175.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -70.87 -54.8 10.16 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.552 -178.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.19 -39.45 92.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.906 -178.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 67.5 mt -60.65 -44.45 97.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-O 121.175 0.512 . . . . 0.0 110.213 177.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.47 ' HA3' ' H ' ' A' ' 90' ' ' ARG . . . -71.32 -28.5 69.76 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.192 177.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -71.09 -28.88 64.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.941 0.401 . . . . 0.0 110.599 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -44.45 -36.56 2.96 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.901 175.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.583 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 0.1 OUTLIER -109.03 -75.04 0.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 170.571 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.583 ' HB2' ' O ' ' A' ' 87' ' ' PHE . 34.9 t-20 167.14 75.59 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.393 0.677 . . . . 0.0 109.983 172.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 96.0 t -141.1 -50.44 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.801 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.47 ' H ' ' HA3' ' A' ' 84' ' ' GLY . 99.6 mtt180 69.4 -158.75 0.17 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.12 -179.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.35 92.29 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.497 0.665 . . . . 0.0 112.656 -173.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -134.79 123.58 16.17 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 114.854 -1.066 . . . . 0.0 108.836 170.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.632 ' HG3' ' HA ' ' A' ' 45' ' ' PRO . 19.6 Cg_endo -61.46 100.89 0.19 Allowed 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.432 2.088 . . . . 0.0 112.339 -178.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -158.87 169.25 24.77 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.802 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 47.9 m -110.81 116.92 32.1 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.493 -178.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.431 ' O ' HG23 ' A' ' 38' ' ' VAL . 85.4 mt -96.85 124.72 40.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.847 0.356 . . . . 0.0 110.28 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.411 ' CG2' HD23 ' A' ' 107' ' ' LEU . 74.9 t -92.42 117.65 36.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.784 -177.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.414 ' CZ ' HD13 ' A' ' 103' ' ' LEU . 94.7 m-85 -113.21 105.45 13.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.331 179.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.636 ' OG1' ' HG3' ' A' ' 104' ' ' ARG . 62.3 p -133.55 167.12 21.05 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.434 ' HB2' ' O ' ' A' ' 99' ' ' THR . 11.5 m-20 68.47 9.07 7.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.722 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.22 8.18 81.96 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.537 -175.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -142.7 174.56 10.54 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 117.374 0.587 . . . . 0.0 112.2 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.414 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 58.9 tp -79.63 127.3 32.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.62 174.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.681 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 1.2 mmp_? -105.65 -47.09 3.99 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.385 -176.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.73 ' HA3' HD12 ' A' ' 123' ' ' ILE . . . -174.94 -164.96 30.53 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.358 -0.925 . . . . 0.0 112.555 -178.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -134.68 147.11 50.04 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.635 0.255 . . . . 0.0 111.055 -177.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.861 HD12 HD23 ' A' ' 116' ' ' LEU . 4.1 mm? -115.9 154.8 29.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.793 178.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.4 ' HB2' ' OE1' ' A' ' 115' ' ' GLU . 37.7 m -110.45 -63.72 1.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.698 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.519 ' HA2' ' HG ' ' A' ' 116' ' ' LEU . . . 80.03 -70.81 2.86 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 111.67 -0.572 . . . . 0.0 111.67 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 48.8 mt 67.12 -72.98 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.141 0.576 . . . . 0.0 110.95 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.691 ' HB2' ' HD3' ' A' ' 112' ' ' PRO . 27.3 m80 -152.25 -57.85 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.375 0 C-N-CA 122.576 0.35 . . . . 0.0 111.154 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.691 ' HD3' ' HB2' ' A' ' 111' ' ' HIS . 9.2 Cg_endo -88.87 149.0 5.86 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 122.511 2.14 . . . . 0.0 112.352 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.425 ' CH2' HD13 ' A' ' 61' ' ' LEU . 2.0 t-105 -80.4 35.89 0.35 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.172 0.51 . . . . 0.0 110.273 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.37 -48.69 15.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.472 -174.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.4 ' OE1' ' HB2' ' A' ' 108' ' ' SER . 0.0 OUTLIER -96.41 -22.47 17.14 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.871 -177.351 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.861 HD23 HD12 ' A' ' 107' ' ' LEU . 46.0 mt -53.22 -46.17 68.97 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.768 175.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.39 -44.15 95.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.003 0.43 . . . . 0.0 109.944 -179.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.2 m -67.33 -51.19 55.45 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.593 -178.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.71 -42.19 91.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 -176.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 54.9 ttp -56.04 -41.72 75.42 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.151 177.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -60.63 -39.62 88.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.016 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.5 t -76.12 -44.52 38.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.224 -178.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.73 HD12 ' HA3' ' A' ' 105' ' ' GLY . 51.3 mm -75.48 -49.2 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.33 -175.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.9 m -136.76 77.35 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.184 0.516 . . . . 0.0 110.386 -178.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -56.75 -58.35 8.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.366 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.447 ' HB ' ' OE1' ' A' ' 67' ' ' GLN . 8.9 m 36.5 78.58 0.34 Allowed Pre-proline 0 N--CA 1.467 0.38 0 O-C-N 124.633 1.208 . . . . 0.0 112.883 175.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -77.0 -16.99 15.62 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.082 1.855 . . . . 0.0 112.231 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 68.42 -62.96 0.36 Allowed 'General case' 0 N--CA 1.467 0.418 0 O-C-N 124.049 0.843 . . . . 0.0 110.655 -176.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -161.41 -88.33 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 174.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -150.41 127.73 11.37 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 172.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -90.18 148.2 23.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.909 0.385 . . . . 0.0 110.717 -176.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 23.7 m -91.58 119.32 31.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.032 -178.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 18.3 m -106.43 131.9 54.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 171.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.409 -174.805 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.2 ptt? . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 67.4 -73.84 0.08 Allowed 'General case' 0 N--CA 1.469 0.511 0 O-C-N 123.933 0.77 . . . . 0.0 111.173 -177.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 61.34 26.02 15.89 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.015 0.526 . . . . 0.0 111.163 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.417 ' O ' ' HD3' ' A' ' 6' ' ' PRO . 17.0 t70 -154.79 153.91 31.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.046 -178.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 p -110.95 92.15 14.31 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 120.817 0.341 . . . . 0.0 110.962 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 4' ' ' ASP . 96.5 Cg_endo -93.72 4.37 3.0 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 123.167 2.578 . . . . 0.0 113.379 -176.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 60.65 -166.68 0.2 Allowed 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 122.458 0.303 . . . . 0.0 110.513 -177.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.8 m 61.35 -80.08 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.217 0.607 . . . . 0.0 112.56 175.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.577 ' O ' ' HG2' ' A' ' 13' ' ' ARG . . . -59.15 -28.86 66.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.334 -177.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.5 tp -59.63 -41.12 89.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.583 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 27.1 t-105 -66.89 -43.2 84.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.924 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -59.87 -36.29 76.59 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.275 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.577 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 22.3 mmt180 -64.21 -28.78 69.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.983 -178.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.1 mt -68.16 -42.67 79.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.869 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.683 ' HA ' ' O ' ' A' ' 18' ' ' GLY . 11.3 mp -60.94 -26.13 67.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.718 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.3 m -62.7 -37.94 88.46 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 120.875 0.369 . . . . 0.0 110.264 178.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -80.06 -38.62 31.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.276 0.56 . . . . 0.0 110.134 174.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.683 ' O ' ' HA ' ' A' ' 15' ' ' LEU . . . 158.04 -108.09 0.35 Allowed Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 -178.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.432 ' HE3' ' HB ' ' A' ' 74' ' ' VAL . 25.2 m95 60.14 107.71 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.85 0.834 . . . . 0.0 112.417 173.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -94.32 113.78 61.68 Favored Pre-proline 0 C--N 1.31 -1.115 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.879 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.575 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 9.7 Cg_exo -68.58 109.88 2.17 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 122.2 1.934 . . . . 0.0 111.159 177.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.482 HG23 ' HB2' ' A' ' 75' ' ' ALA . 5.8 m -92.21 -177.96 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.653 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -141.81 167.66 21.6 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.389 -172.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.49 -38.08 41.72 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.203 176.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.8 m -80.2 -9.74 59.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.232 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 m -122.99 1.83 9.29 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -174.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.6 p -68.02 -37.56 78.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 O-C-N 121.994 -0.441 . . . . 0.0 111.308 -177.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -67.42 -48.85 66.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.399 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -71.57 -32.45 68.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.521 -176.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.517 ' O ' HG22 ' A' ' 34' ' ' VAL . 36.0 t90 -64.43 -49.9 69.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.59 0.233 . . . . 0.0 110.451 -179.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.43 HD11 ' CD1' ' A' ' 39' ' ' ILE . 45.9 mm -62.44 -38.68 81.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.185 0.517 . . . . 0.0 110.112 177.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -58.06 -38.76 76.94 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.026 176.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -80.93 -47.17 14.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.101 -171.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 30' ' ' TRP . 30.2 m -95.42 -46.6 13.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -175.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.22 -56.02 2.1 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 121.064 -0.589 . . . . 0.0 112.148 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -103.05 129.77 49.96 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.701 0.286 . . . . 0.0 110.771 -176.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.37 179.94 38.82 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.188 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.547 HG12 ' HA ' ' A' ' 97' ' ' VAL . 10.3 m -136.07 125.9 40.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.728 0.299 . . . . 0.0 111.491 -177.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.433 HG22 HD12 ' A' ' 41' ' ' LEU . 2.3 mp -98.15 121.05 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.403 ' HG ' ' OG1' ' A' ' 95' ' ' THR . 2.0 tt -89.98 113.22 24.84 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 175.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.433 HD12 HG22 ' A' ' 39' ' ' ILE . 7.9 mp -86.39 125.76 33.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.988 -177.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.579 ' HB3' ' HB3' ' A' ' 93' ' ' PRO . 35.3 t 68.87 151.6 0.09 Allowed 'General case' 0 CA--C 1.53 0.205 0 O-C-N 124.067 0.854 . . . . 0.0 111.806 178.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.1 m -90.26 119.23 30.39 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.7 t70 75.12 140.71 0.08 OUTLIER Pre-proline 0 N--CA 1.469 0.506 0 O-C-N 123.998 0.812 . . . . 0.0 110.695 -178.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.55 ' HA ' ' HB2' ' A' ' 93' ' ' PRO . 37.2 Cg_endo -65.28 1.22 2.15 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 123.1 2.533 . . . . 0.0 113.455 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 69.35 20.69 7.26 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 123.015 0.526 . . . . 0.0 110.838 173.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -77.4 -52.89 8.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.765 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.1 m 60.05 71.69 0.85 Allowed Pre-proline 0 CA--C 1.537 0.442 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.708 -177.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.77 ' HD2' ' HA ' ' A' ' 52' ' ' SER . 39.0 Cg_endo -70.88 -27.24 21.39 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.195 1.93 . . . . 0.0 111.986 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -174.09 -72.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.828 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.0 p -99.45 -10.56 8.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 176.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.77 ' HA ' ' HD2' ' A' ' 49' ' ' PRO . 15.3 m 72.65 95.29 0.07 Allowed 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 114.739 -1.119 . . . . 0.0 110.526 -178.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -75.14 94.4 2.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.309 178.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -63.85 136.07 96.57 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.886 -175.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.403 ' HB2' ' CD1' ' A' ' 58' ' ' ILE . 48.2 Cg_endo -69.42 97.27 0.6 Allowed 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.914 2.409 . . . . 0.0 112.939 -176.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.6 t -103.88 -12.76 9.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.467 0.651 . . . . 0.0 109.292 176.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.468 ' O ' ' HB2' ' A' ' 61' ' ' LEU . 60.5 mmm -56.78 -20.2 21.08 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.085 -0.961 . . . . 0.0 113.157 -177.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.532 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 5.2 mp -68.18 -21.61 26.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-O 120.995 0.426 . . . . 0.0 110.525 -176.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.28 -57.08 11.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.823 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -70.66 -30.29 66.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.717 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.532 ' HB2' ' HA ' ' A' ' 58' ' ' ILE . 0.6 OUTLIER -52.96 -33.13 49.63 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.515 -177.818 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 tt -46.43 -53.74 10.48 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.652 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -90.1 -3.04 58.15 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -178.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -74.86 -20.66 59.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.988 0.423 . . . . 0.0 109.894 174.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.517 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 4.9 t80 -74.54 116.97 58.35 Favored Pre-proline 0 N--CA 1.451 -0.396 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.517 ' HD3' ' HA ' ' A' ' 65' ' ' PHE . 2.8 Cg_exo -75.79 16.06 0.82 Allowed 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 123.55 2.834 . . . . 0.0 113.445 -174.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -109.9 -69.53 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -153.7 167.34 29.91 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -172.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -86.67 109.7 19.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.582 174.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -105.9 158.31 16.86 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.032 0.444 . . . . 0.0 111.267 178.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -76.33 110.0 10.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.396 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.9 t -76.12 118.98 23.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.039 175.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.478 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -118.33 143.58 46.5 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.93 -178.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.575 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 3.2 p -126.76 131.75 70.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.802 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.482 ' HB2' HG23 ' A' ' 22' ' ' VAL . . . -112.67 144.65 41.81 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.911 0.386 . . . . 0.0 111.26 -177.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.494 ' HB3' ' OE1' ' A' ' 79' ' ' GLN . 14.1 t70 -67.16 154.1 42.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.038 175.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.543 HD12 ' N ' ' A' ' 78' ' ' GLU . 2.6 pp -59.76 -31.01 69.26 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -175.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.543 ' N ' HD12 ' A' ' 77' ' ' LEU . 29.9 tt0 -73.47 -45.71 52.55 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.214 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.494 ' OE1' ' HB3' ' A' ' 76' ' ' ASP . 1.5 mp0 -64.33 -35.09 79.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.727 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.8 m -61.99 -29.01 69.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.922 -178.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -65.74 -44.25 86.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.034 0.445 . . . . 0.0 110.234 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.14 -41.84 66.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.721 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 84.7 mt -59.37 -43.4 90.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.184 0.516 . . . . 0.0 110.135 176.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.568 ' HA2' HG12 ' A' ' 89' ' ' VAL . . . -67.4 -28.39 73.64 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.66 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -77.03 -31.61 56.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.818 0.342 . . . . 0.0 110.906 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -44.92 -45.6 10.48 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.493 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -124.03 11.41 8.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.196 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 66.7 t30 56.21 68.18 0.9 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.788 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.568 HG12 ' HA2' ' A' ' 84' ' ' GLY . 6.5 p -110.32 12.26 8.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.138 178.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -55.18 101.41 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.445 -177.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -149.22 -69.93 0.21 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.525 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -149.99 154.02 36.41 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.28 177.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.579 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 32.0 Cg_exo -59.19 116.99 3.66 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.582 2.188 . . . . 0.0 111.833 177.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -140.71 171.79 13.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.554 -176.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.494 HG22 ' HB ' ' A' ' 38' ' ' VAL . 10.1 m -108.05 120.71 43.1 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 176.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.415 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 94.3 mt -91.57 134.01 35.04 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 120.704 -0.399 . . . . 0.0 111.108 -174.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.547 ' HA ' HG12 ' A' ' 38' ' ' VAL . 67.1 t -98.64 114.2 35.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.919 -176.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.427 ' CE1' HD13 ' A' ' 39' ' ' ILE . 44.3 m-85 -109.36 120.98 44.16 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.549 179.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.2 p -124.31 127.16 47.21 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.256 178.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.3 t70 68.09 10.88 8.1 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.553 0.692 . . . . 0.0 110.31 -177.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 93.61 -5.97 73.96 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.441 -174.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -100.3 133.85 44.11 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 120.914 0.388 . . . . 0.0 110.447 -178.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 61.2 tp -86.51 108.61 18.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.874 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.9 mtp180 -94.24 -35.0 12.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.564 -177.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -175.83 -154.57 11.63 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 119.999 -1.096 . . . . 0.0 113.105 -177.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -133.46 161.34 34.84 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.908 0.385 . . . . 0.0 111.111 -176.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 107' ' ' LEU . 0.2 OUTLIER -98.17 74.86 2.26 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.459 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 45.7 m -155.67 137.23 14.15 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.057 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -157.41 -159.1 9.31 Favored Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.81 -0.709 . . . . 0.0 111.781 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.515 ' O ' ' HB2' ' A' ' 111' ' ' HIS . 41.2 mm -101.27 144.49 12.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.515 ' HB2' ' O ' ' A' ' 110' ' ' ILE . 81.2 m-70 79.13 151.15 0.12 Allowed Pre-proline 0 N--CA 1.47 0.558 0 O-C-N 123.988 0.805 . . . . 0.0 110.538 -174.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 111' ' ' HIS . 5.3 Cg_exo -76.07 4.86 4.92 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 123.026 2.484 . . . . 0.0 113.092 -178.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 29.6 t-105 -176.15 176.7 1.68 Allowed 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 177.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 74.91 18.96 2.51 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.994 0.809 . . . . 0.0 110.512 -178.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.5 -39.46 9.14 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.011 179.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 70.1 mt -50.73 -44.78 58.33 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.041 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -56.93 -42.87 80.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.068 0.461 . . . . 0.0 111.24 -176.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.3 m -77.53 -37.39 51.01 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.984 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 91.2 mt -71.56 -43.37 66.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.575 -177.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 26.2 ptm -61.49 -42.76 99.29 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.884 -176.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.456 ' HA ' ' HB2' ' A' ' 125' ' ' ASP . 8.1 mmm180 -52.09 -44.34 64.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.016 0.436 . . . . 0.0 111.38 -178.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 42.4 t -76.54 -53.71 7.69 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.984 178.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.601 HG22 HG23 ' A' ' 124' ' ' VAL . 61.8 mt -88.62 -52.0 11.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -167.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.601 HG23 HG22 ' A' ' 123' ' ' ILE . 21.3 t -139.37 77.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.166 0.508 . . . . 0.0 110.427 -175.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.456 ' HB2' ' HA ' ' A' ' 121' ' ' ARG . 36.1 t70 -102.03 -60.09 1.59 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.708 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 44.9 m 71.98 128.79 0.03 OUTLIER Pre-proline 0 CA--C 1.529 0.171 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.433 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.439 ' HB3' ' H ' ' A' ' 131' ' ' GLU . 30.5 Cg_endo -65.95 81.03 0.27 Allowed 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.288 1.992 . . . . 0.0 111.988 174.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.93 -41.9 74.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.321 175.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -98.22 -69.11 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.326 172.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.64 108.16 0.03 OUTLIER 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 175.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.439 ' H ' ' HB3' ' A' ' 127' ' ' PRO . 10.2 tp10 -166.8 107.73 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.802 -177.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.692 HG22 HG23 ' A' ' 133' ' ' VAL . 34.7 m 70.55 131.5 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.337 0 O-C-N 123.664 0.603 . . . . 0.0 111.977 174.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.692 HG23 HG22 ' A' ' 132' ' ' THR . 86.4 t 75.74 -36.95 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 123.137 0.575 . . . . 0.0 111.341 178.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 . . . . . 0 N--CA 1.465 0.275 0 C-N-CA 123.454 0.702 . . . . 0.0 110.267 179.787 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptt? . . . . . 0 N--CA 1.483 1.185 0 N-CA-C 110.682 -0.118 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 55.86 97.39 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.321 0.648 . . . . 0.0 111.948 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 41.1 t30 56.43 75.84 0.33 Allowed 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 -171.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -118.22 95.24 4.8 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.314 -166.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 m 61.71 95.93 0.05 OUTLIER Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.54 171.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -74.15 108.68 2.72 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.152 1.901 . . . . 0.0 111.608 175.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -136.01 151.51 49.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.002 0.429 . . . . 0.0 111.48 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.0 m -78.76 -9.54 59.47 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.447 0.641 . . . . 0.0 110.199 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 -26.0 61.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.296 177.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.57 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 47.4 tp -55.26 -30.72 60.65 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.422 -179.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.4 ' CH2' HG13 ' A' ' 74' ' ' VAL . 0.7 OUTLIER -55.14 -39.76 69.81 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.961 0.41 . . . . 0.0 110.613 178.784 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -63.21 -40.56 97.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.805 0.336 . . . . 0.0 110.271 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -69.62 -41.45 75.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.039 177.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 86.6 mt -60.93 -44.83 96.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.571 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.98 -27.05 68.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.809 178.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 54.7 m -75.26 -27.08 59.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -140.66 97.18 3.15 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.601 -0.439 . . . . 0.0 112.038 -173.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.9 -63.77 1.49 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.775 -0.726 . . . . 0.0 114.228 169.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.402 ' CG ' ' HB3' ' A' ' 14' ' ' LEU . 32.2 m95 -60.53 125.0 22.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.323 0.583 . . . . 0.0 111.964 -171.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.412 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 78.4 mt-30 -102.01 125.98 35.13 Favored Pre-proline 0 N--CA 1.449 -0.505 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.203 -177.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.758 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 10.8 Cg_exo -70.69 119.52 6.4 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.635 2.223 . . . . 0.0 111.339 172.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.423 HG21 HG13 ' A' ' 39' ' ' ILE . 10.9 m -105.51 166.28 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.43 0.633 . . . . 0.0 112.001 -177.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.463 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 41.9 mt-10 -139.94 162.1 36.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.525 -174.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.43 ' HB2' ' HA ' ' A' ' 83' ' ' ILE . . . -70.13 -18.32 63.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.049 0.452 . . . . 0.0 111.384 -178.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.8 p -84.12 -61.53 1.79 Allowed 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.281 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.0 t -71.11 -18.92 62.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.994 -175.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.463 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 8.2 p -62.6 -26.86 41.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-O 120.722 0.296 . . . . 0.0 110.955 -177.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.414 ' HB2' ' NH2' ' A' ' 86' ' ' ARG . 10.3 t70 -61.85 -49.57 75.71 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.205 0.526 . . . . 0.0 110.045 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.519 ' O ' ' HB2' ' A' ' 33' ' ' ARG . 28.9 t70 -75.54 -36.7 60.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.192 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.441 ' O ' HG22 ' A' ' 34' ' ' VAL . 64.8 t90 -59.33 -51.39 70.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.13 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.7 mm -60.49 -46.32 95.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.955 0.407 . . . . 0.0 110.809 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.448 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -68.24 -21.65 64.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.804 -179.251 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.519 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -77.45 -36.85 52.58 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.255 -177.045 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 30' ' ' TRP . 6.3 m -105.51 -46.98 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.897 -177.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.3 -36.11 4.6 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.426 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.451 ' OD2' ' HA ' ' A' ' 70' ' ' TRP . 10.1 p-10 -126.23 156.96 39.45 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 122.396 0.278 . . . . 0.0 110.289 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.59 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . 149.39 -178.61 26.8 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.913 176.27 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 97' ' ' VAL . 12.1 m -138.19 133.96 44.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.922 0.392 . . . . 0.0 111.368 -179.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.477 HD13 ' CE1' ' A' ' 98' ' ' PHE . 1.9 mp -106.6 117.01 51.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 174.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.519 ' HB3' HG23 ' A' ' 74' ' ' VAL . 1.8 tt -93.48 123.91 37.11 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 93' ' ' PRO . 9.2 mp -91.03 123.67 34.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.707 -0.224 . . . . 0.0 110.467 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.9 t 66.25 -179.27 0.2 Allowed 'General case' 0 CA--C 1.532 0.28 0 O-C-N 123.917 0.761 . . . . 0.0 110.646 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.6 m -100.5 -56.4 2.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.014 0.435 . . . . 0.0 109.906 176.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -159.85 159.35 27.44 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.146 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -80.5 125.08 5.49 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 122.098 1.865 . . . . 0.0 110.319 170.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.461 ' NE ' ' HA ' ' A' ' 46' ' ' ARG . 2.1 mmp_? -55.17 -87.94 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 O-C-N 123.4 0.437 . . . . 0.0 111.401 -175.178 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.517 ' HG2' ' O ' ' A' ' 47' ' ' ARG . 30.0 ttp85 62.88 -5.38 0.2 Allowed 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 174.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.0 m 71.94 85.06 0.12 Allowed Pre-proline 0 CA--C 1.536 0.422 0 C-N-CA 123.063 0.545 . . . . 0.0 109.888 -168.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -75.21 171.37 18.41 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.368 2.712 . . . . 0.0 111.967 -177.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -165.28 -74.25 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.4 m -83.55 61.63 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -169.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.1 m 58.38 34.03 23.65 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.106 174.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -85.09 27.97 0.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.583 0.706 . . . . 0.0 110.697 178.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.423 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 3.5 t-20 -96.33 135.95 22.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.418 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.485 ' HA ' ' SD ' ' A' ' 57' ' ' MET . 14.4 Cg_exo -70.55 99.54 0.84 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.81 2.34 . . . . 0.0 113.005 179.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.9 t -117.37 -3.51 10.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.616 0.722 . . . . 0.0 109.866 178.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.485 ' SD ' ' HA ' ' A' ' 55' ' ' PRO . 1.6 mpt? -58.39 -37.37 75.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.382 -0.827 . . . . 0.0 111.865 -173.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.569 ' H ' HD12 ' A' ' 58' ' ' ILE . 4.3 mp -63.71 -31.99 55.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.419 -171.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.35 -52.52 63.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.338 . . . . 0.0 111.237 -177.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -75.48 -29.64 59.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.987 0.422 . . . . 0.0 110.09 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 28.1 tp -52.56 -44.11 65.64 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.37 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 64.6 tp -50.04 -40.04 43.76 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.684 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -86.94 -28.47 22.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.493 -177.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -76.87 -38.04 54.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.007 -178.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.02 110.21 2.79 Favored Pre-proline 0 CA--C 1.529 0.147 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.982 -175.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -86.3 0.26 8.13 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.724 2.283 . . . . 0.0 112.721 -175.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -78.87 -48.5 14.55 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.799 -177.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.456 ' HE1' ' CE3' ' A' ' 70' ' ' TRP . 0.1 OUTLIER -172.52 162.58 5.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.347 -179.444 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -92.45 83.89 5.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.534 174.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.59 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . 0.1 OUTLIER -76.53 159.19 30.57 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.294 0.568 . . . . 0.0 112.108 -177.186 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -77.96 113.49 15.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.261 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 63.8 t -90.62 122.43 41.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.603 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.405 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -138.59 157.97 45.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.723 178.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.758 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 4.1 p -145.14 145.48 20.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -177.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.406 ' HB1' ' HB2' ' A' ' 79' ' ' GLN . . . -88.68 147.13 24.67 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.712 178.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -53.78 -74.62 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.299 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.2 tp -168.73 -62.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.614 176.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -61.36 -33.48 73.71 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.022 0.439 . . . . 0.0 110.205 175.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.493 ' O ' HG13 ' A' ' 83' ' ' ILE . 91.6 mt-30 -59.69 -37.12 77.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.648 178.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.9 m -61.89 -31.25 71.52 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.337 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.769 ' HG3' ' HD3' ' A' ' 91' ' ' ARG . 38.5 tt0 -63.9 -41.52 97.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.163 -179.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.23 -36.85 66.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.756 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 79' ' ' GLN . 68.7 mt -63.23 -42.58 96.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.15 -36.53 92.51 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.513 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -72.15 -31.79 66.3 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.182 0.515 . . . . 0.0 110.691 -178.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.414 ' NH2' ' HB2' ' A' ' 28' ' ' ASP . 9.6 tpt85 -49.19 -40.96 35.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.975 -1.012 . . . . 0.0 111.524 -177.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.424 ' HD1' HG23 ' A' ' 89' ' ' VAL . 2.9 p90 -124.29 17.41 9.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.626 -179.059 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 47.2 t30 60.41 76.75 0.35 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.498 176.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.424 HG23 ' HD1' ' A' ' 87' ' ' PHE . 86.2 t -143.04 143.31 25.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 172.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -67.24 157.34 34.07 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.739 0.304 . . . . 0.0 110.462 178.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.769 ' HD3' ' HG3' ' A' ' 81' ' ' GLU . 18.4 mtm180 -75.19 90.76 2.57 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.171 0.51 . . . . 0.0 111.451 -172.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -122.71 146.02 46.81 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.098 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.416 ' HA ' ' O ' ' A' ' 41' ' ' LEU . 55.3 Cg_endo -72.17 106.8 2.11 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.308 2.006 . . . . 0.0 111.721 176.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.452 ' HA ' ' HA ' ' A' ' 108' ' ' SER . . . -155.19 156.14 35.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.492 -178.086 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.443 HG22 ' HB ' ' A' ' 38' ' ' VAL . 8.2 m -101.88 125.71 48.62 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.887 177.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.564 HD23 ' HB2' ' A' ' 106' ' ' ALA . 39.7 mt -91.74 131.16 37.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.456 -179.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.495 ' HA ' HG12 ' A' ' 38' ' ' VAL . 95.0 t -93.85 117.91 38.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.66 179.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.54 ' HE1' ' HB2' ' A' ' 96' ' ' LEU . 87.0 m-85 -115.51 122.84 46.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.794 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.1 p -137.38 155.63 49.15 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 172.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 67.31 10.8 8.0 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.969 0.414 . . . . 0.0 110.959 177.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 76.94 15.01 82.03 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.909 -0.662 . . . . 0.0 111.757 -173.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -128.65 164.08 23.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.954 0.407 . . . . 0.0 110.808 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.438 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 61.0 tp -90.75 125.4 35.68 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.288 -179.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.44 ' HB3' HG23 ' A' ' 123' ' ' ILE . 33.0 mmt180 -92.02 -40.47 11.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.01 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 169.44 -173.01 43.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.211 -0.995 . . . . 0.0 112.644 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.564 ' HB2' HD23 ' A' ' 96' ' ' LEU . . . -128.91 138.58 52.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.881 0.372 . . . . 0.0 111.475 -178.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -122.89 124.63 43.68 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 174.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.452 ' HA ' ' HA ' ' A' ' 94' ' ' ALA . 10.6 p -77.39 -78.91 0.12 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.791 0.329 . . . . 0.0 111.755 -177.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -154.97 73.07 0.25 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.88 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 9.4 tp -67.92 140.26 19.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.042 0.449 . . . . 0.0 110.765 -177.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.618 ' HB2' ' HD3' ' A' ' 112' ' ' PRO . 33.3 m80 -110.44 -51.15 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.448 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.618 ' HD3' ' HB2' ' A' ' 111' ' ' HIS . 34.0 Cg_exo -61.91 152.96 71.67 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 122.067 1.845 . . . . 0.0 112.115 175.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -122.47 -169.39 1.89 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 70.91 -54.11 0.66 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.24 0.616 . . . . 0.0 111.494 -177.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.41 -24.51 67.44 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.065 0.46 . . . . 0.0 110.74 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.0 mt -56.28 -31.76 63.93 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.509 177.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.31 -39.4 86.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.644 0.259 . . . . 0.0 110.837 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 32.3 m -68.46 -44.08 75.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.668 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 91.3 mt -68.94 -43.96 74.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.771 -179.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 47.4 ttp -61.5 -33.93 74.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.808 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.448 ' O ' ' HB2' ' A' ' 125' ' ' ASP . 7.4 tpt180 -59.68 -43.82 93.86 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -177.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 40.6 m -68.42 -29.86 68.62 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-O 120.997 0.427 . . . . 0.0 111.207 178.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.44 HG23 ' HB3' ' A' ' 104' ' ' ARG . 75.2 mt -74.49 -49.82 29.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.999 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 4.4 m -132.8 74.14 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.568 0.699 . . . . 0.0 110.893 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 121' ' ' ARG . 30.2 t70 -81.31 -39.21 25.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.636 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.572 ' HB ' ' HD2' ' A' ' 127' ' ' PRO . 43.4 p 55.77 -179.55 0.03 OUTLIER Pre-proline 0 N--CA 1.471 0.601 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.984 -179.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.572 ' HD2' ' HB ' ' A' ' 126' ' ' THR . 23.5 Cg_exo -66.07 77.62 0.31 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 121.767 1.645 . . . . 0.0 111.375 170.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 67.72 103.91 0.05 OUTLIER 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.942 0.776 . . . . 0.0 111.349 -179.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.06 155.71 39.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.549 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -85.5 22.92 1.45 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.941 -174.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -140.65 148.11 40.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.761 0.315 . . . . 0.0 110.599 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 21.5 m -119.97 128.04 53.21 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.029 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 7.6 m -75.81 102.25 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.347 0.594 . . . . 0.0 111.014 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.534 -177.719 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.877 0.37 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.03 -31.8 30.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.763 -174.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 69.6 165.6 0.27 Allowed 'General case' 0 N--CA 1.47 0.534 0 O-C-N 123.864 0.727 . . . . 0.0 109.624 -174.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -90.12 110.02 21.05 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 178.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.448 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 4.0 t -136.01 142.81 41.66 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.486 -174.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 9.5 Cg_exo -72.47 178.14 6.56 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 123.031 2.487 . . . . 0.0 111.186 173.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -88.22 176.22 7.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.07 0.462 . . . . 0.0 111.165 -177.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.659 ' HB2' ' HB2' ' A' ' 11' ' ' TRP . 45.6 m -72.47 162.86 28.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.198 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.81 -47.07 64.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.688 -178.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.74 ' HG ' ' HB2' ' A' ' 54' ' ' ASN . 4.4 mm? -67.98 -28.39 67.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.231 178.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.659 ' HB2' ' HB2' ' A' ' 8' ' ' SER . 0.6 OUTLIER -57.57 -44.56 85.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.527 175.571 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -70.02 -35.28 74.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.452 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -63.29 -36.56 84.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.731 177.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 95.1 mt -60.32 -42.95 96.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.596 178.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 18' ' ' GLY . 96.7 mt -60.07 -34.51 73.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.185 -179.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.5 m -66.15 -25.86 67.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.919 178.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -108.41 22.29 16.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.484 0.659 . . . . 0.0 110.122 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 15' ' ' LEU . . . 106.59 -126.96 8.68 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.165 178.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.3 m95 67.47 129.61 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.594 0.712 . . . . 0.0 111.887 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -111.54 113.63 53.24 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.445 178.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.634 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 24.8 Cg_exo -64.64 104.86 0.58 Allowed 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 122.268 1.979 . . . . 0.0 110.777 171.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.525 HG21 HG13 ' A' ' 39' ' ' ILE . 2.6 m -82.01 170.52 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -178.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.629 ' HG2' HE22 ' A' ' 79' ' ' GLN . 38.1 mt-10 -138.0 159.62 41.54 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.821 -174.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.52 -6.97 59.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.277 0.56 . . . . 0.0 109.958 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 m -77.76 -43.22 31.46 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.365 -177.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.3 p -116.84 8.36 13.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.843 -174.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.493 ' O ' HG12 ' A' ' 31' ' ' ILE . 7.4 p -54.38 -42.92 60.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.608 -177.121 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.94 -47.61 85.08 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.764 -178.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -75.11 -38.38 61.17 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 -177.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.568 ' O ' HG22 ' A' ' 34' ' ' VAL . 72.0 t90 -59.1 -49.45 77.81 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -178.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 27' ' ' VAL . 43.6 mm -56.81 -45.69 83.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 121.044 0.45 . . . . 0.0 110.815 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.434 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -68.16 -32.7 73.15 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.085 -179.62 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -44.43 37.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.019 -176.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.568 HG22 ' O ' ' A' ' 30' ' ' TRP . 34.6 m -84.71 -37.02 12.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.328 -177.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.7 -48.41 2.3 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.28 177.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -125.62 167.37 15.18 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.635 0.255 . . . . 0.0 110.499 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.85 177.03 15.75 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.318 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.5 m -135.81 127.4 44.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.954 0.407 . . . . 0.0 111.274 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.525 HG13 HG21 ' A' ' 22' ' ' VAL . 2.1 mp -96.1 111.76 26.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 172.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.53 HD12 HG23 ' A' ' 74' ' ' VAL . 2.8 tm? -89.59 109.69 20.62 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 177.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.3 mp -75.46 148.42 39.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.701 176.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.42 ' OG ' ' HA ' ' A' ' 77' ' ' LEU . 4.0 m -54.19 103.05 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.303 0.377 . . . . 0.0 110.081 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.57 ' HA ' ' HB2' ' A' ' 93' ' ' PRO . 11.3 m -73.58 -0.81 16.37 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -168.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.0 t70 65.47 101.04 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.488 0 O-C-N 123.632 0.582 . . . . 0.0 111.467 177.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -76.16 80.99 2.54 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 122.435 2.09 . . . . 0.0 111.273 176.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -81.96 42.4 0.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.542 -177.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 64.58 18.62 11.48 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.533 0.683 . . . . 0.0 110.902 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.1 m -61.86 135.12 94.36 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.795 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -59.96 -20.97 62.76 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 123.373 2.715 . . . . 0.0 113.154 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -127.39 163.6 23.68 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 51' ' ' VAL . 14.0 t 63.65 27.37 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 122.484 1.135 . . . . 0.0 108.553 -171.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.2 m -82.58 100.84 10.38 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 114.712 -1.131 . . . . 0.0 110.688 -178.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.464 ' CG ' ' HB3' ' A' ' 8' ' ' SER . 0.6 OUTLIER 75.07 -49.69 0.65 Allowed 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.957 0.785 . . . . 0.0 110.831 176.217 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.74 ' HB2' ' HG ' ' A' ' 10' ' ' LEU . 42.1 t30 -88.9 133.49 35.5 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 175.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.771 ' HB3' HD13 ' A' ' 58' ' ' ILE . 68.7 Cg_exo -42.94 -47.45 8.25 Favored 'Trans proline' 0 CA--C 1.534 0.486 0 C-N-CA 123.385 2.723 . . . . 0.0 113.558 175.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 54' ' ' ASN . 70.6 t 72.84 -34.62 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 175.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.538 ' O ' ' HB2' ' A' ' 61' ' ' LEU . 24.7 mmt -106.08 -27.58 11.03 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -176.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.771 HD13 ' HB3' ' A' ' 55' ' ' PRO . 3.2 mp -80.88 -61.77 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -168.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.75 -34.2 71.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.556 0.693 . . . . 0.0 110.427 -176.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -66.64 -30.86 71.23 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.369 179.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.538 ' HB2' ' O ' ' A' ' 57' ' ' MET . 36.6 tp -61.75 -53.07 60.93 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 121.452 0.644 . . . . 0.0 109.845 174.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.06 -37.27 76.63 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.844 -1.071 . . . . 0.0 111.086 -178.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -52.84 -31.38 38.84 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.636 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 10.0 pt-20 -123.25 26.89 7.78 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.896 -179.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.71 101.68 7.42 Favored Pre-proline 0 C--N 1.331 -0.197 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.313 172.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.636 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 9.8 Cg_endo -90.14 11.28 2.8 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.408 2.739 . . . . 0.0 110.932 177.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.454 HE22 ' HB ' ' A' ' 126' ' ' THR . 0.0 OUTLIER -75.85 -53.58 8.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.184 -179.346 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -173.45 177.78 2.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.195 -178.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -113.92 141.05 47.86 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 176.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.422 ' CD1' ' N ' ' A' ' 70' ' ' TRP . 0.1 OUTLIER -151.42 165.74 33.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.998 0.428 . . . . 0.0 111.771 -173.351 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.451 HE21 ' HB ' ' A' ' 34' ' ' VAL . 2.6 mp0 -73.49 114.54 11.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.329 -174.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.9 t -89.21 116.52 30.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.999 175.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.506 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -127.58 159.39 34.78 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.174 -176.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.634 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 12.7 p -144.78 149.6 16.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.181 -178.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.71 157.14 16.91 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 176.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.25 -83.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.53 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.42 ' HA ' ' OG ' ' A' ' 42' ' ' SER . 55.6 tp -160.76 -49.24 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.182 0.515 . . . . 0.0 109.691 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -65.67 -47.37 75.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.503 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.629 HE22 ' HG2' ' A' ' 23' ' ' GLU . 36.2 mt-30 -69.19 -22.48 63.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.37 -173.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.3 t -50.07 -40.82 46.51 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.813 0.339 . . . . 0.0 110.855 176.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -69.9 -43.47 71.68 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.6 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.04 -42.39 84.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.604 -177.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.507 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 74.9 mt -66.04 -40.51 87.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 110.269 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.0 -44.09 97.9 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.475 -0.869 . . . . 0.0 111.772 177.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -68.31 -30.39 69.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 0.0 110.876 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.507 ' HB3' ' O ' ' A' ' 83' ' ' ILE . 2.8 tpm_? -45.98 -40.29 10.21 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.859 175.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -96.7 -78.69 0.46 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 175.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 177.06 21.49 0.0 OUTLIER 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.154 176.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 33.9 t -103.1 96.17 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -175.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -127.85 32.94 4.87 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.428 -174.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -113.05 -79.33 0.58 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.681 178.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.487 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 97.5 m-85 -124.22 138.18 30.39 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.101 -179.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.57 ' HB2' ' HA ' ' A' ' 43' ' ' SER . 7.8 Cg_exo -74.79 153.12 42.67 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 123.232 2.621 . . . . 0.0 112.406 -178.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -158.04 -172.19 3.81 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.063 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.538 ' HB ' ' HB3' ' A' ' 107' ' ' LEU . 7.2 m -97.6 117.17 31.28 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 93.3 mt -92.17 128.92 38.2 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.926 0.393 . . . . 0.0 110.842 -176.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.411 HG13 ' HZ3' ' A' ' 70' ' ' TRP . 67.2 t -94.18 114.66 31.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.813 -176.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.439 ' CE1' HD13 ' A' ' 39' ' ' ILE . 95.5 m-85 -112.44 126.62 55.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.32 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.519 ' OG1' ' HG3' ' A' ' 104' ' ' ARG . 0.7 OUTLIER -146.18 142.93 28.92 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.676 176.486 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 66.89 12.75 9.11 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.622 0.576 . . . . 0.0 110.966 -178.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.89 5.73 83.32 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.531 -177.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -121.09 152.37 38.75 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 122.472 -0.428 . . . . 0.0 111.075 178.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.408 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 56.0 tp -77.92 113.15 15.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.416 175.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.519 ' HG3' ' OG1' ' A' ' 99' ' ' THR . 16.8 mmt85 -96.98 -16.24 20.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.976 -173.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 163.77 -172.41 39.65 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 119.875 -1.155 . . . . 0.0 112.886 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -127.55 142.26 51.42 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.538 ' HB3' ' HB ' ' A' ' 95' ' ' THR . 1.8 tm? -89.64 96.43 10.69 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.725 -177.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 65.6 m -81.34 86.95 6.18 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 174.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -78.9 99.18 1.64 Allowed Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.811 -176.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.479 ' O ' ' HB2' ' A' ' 111' ' ' HIS . 46.8 mm -70.27 -74.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 175.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.557 ' HB3' ' HD3' ' A' ' 112' ' ' PRO . 1.6 t60 173.93 -53.01 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.339 0 O-C-N 123.665 0.603 . . . . 0.0 110.422 173.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.557 ' HD3' ' HB3' ' A' ' 111' ' ' HIS . 26.8 Cg_exo -64.15 146.67 90.92 Favored 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 122.19 1.927 . . . . 0.0 111.968 176.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.487 ' CH2' HD12 ' A' ' 61' ' ' LEU . 3.6 t-105 -95.64 -140.16 0.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.011 -177.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 69.37 -70.87 0.13 Allowed 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.52 0.728 . . . . 0.0 111.909 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -65.96 -26.38 67.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 -177.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 7.3 mt -56.37 -37.16 69.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.983 175.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -64.8 -44.83 88.66 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.3 m -62.46 -51.22 68.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.43 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.07 -49.88 70.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.711 -178.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.502 ' HA ' ' CE ' ' A' ' 120' ' ' MET . 20.8 mmt -64.82 -29.42 70.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.328 -178.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -55.43 -34.47 64.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.98 0.419 . . . . 0.0 111.276 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.0 m -71.4 -30.31 65.96 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.436 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 49.6 mm -91.07 -49.05 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.634 -175.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.2 m -112.03 68.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.804 0.811 . . . . 0.0 110.781 -177.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -74.26 -51.21 16.02 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.589 175.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.454 ' HB ' HE22 ' A' ' 67' ' ' GLN . 59.5 m 54.9 94.79 0.05 OUTLIER Pre-proline 0 C--O 1.235 0.319 0 CA-C-N 115.04 -0.982 . . . . 0.0 112.106 178.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -57.24 135.43 70.26 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.879 2.386 . . . . 0.0 111.949 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.5 18.84 0.14 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.96 -176.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -124.81 8.86 8.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.931 0.396 . . . . 0.0 110.623 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.531 ' OE1' ' HG2' ' A' ' 131' ' ' GLU . 5.4 tm0? -87.24 156.22 19.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.782 -179.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.531 ' HG2' ' OE1' ' A' ' 130' ' ' GLN . 16.5 mm-40 62.33 -173.16 0.15 Allowed 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.048 0.539 . . . . 0.0 111.528 -176.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 27.7 m -127.84 98.02 5.02 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.263 -176.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.495 HG12 ' N ' ' A' ' 134' ' ' GLN . 11.8 t 64.95 166.62 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.438 176.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.495 ' N ' HG12 ' A' ' 133' ' ' VAL . 52.9 tt0 . . . . . 0 N--CA 1.465 0.316 0 C-N-CA 123.268 0.627 . . . . 0.0 111.195 173.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.2 mtm . . . . . 0 N--CA 1.482 1.129 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.42 153.18 43.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.66 -0.245 . . . . 0.0 110.846 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -86.31 -62.7 1.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -67.0 107.39 2.24 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 173.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.8 m -121.12 89.74 46.62 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.075 -0.512 . . . . 0.0 112.116 -172.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -86.28 -24.0 1.74 Allowed 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.878 2.385 . . . . 0.0 110.964 170.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -128.83 138.27 51.96 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.414 ' OG ' ' HB2' ' A' ' 11' ' ' TRP . 13.4 t -81.23 92.5 6.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.23 0.538 . . . . 0.0 110.74 -176.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.55 -32.94 36.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.38 177.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 11' ' ' TRP . 4.1 pp -63.8 -28.19 69.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.386 -179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.436 ' N ' HD12 ' A' ' 10' ' ' LEU . 41.1 t-105 -64.51 -31.41 72.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.002 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -64.24 -35.77 81.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.371 177.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -67.66 -39.74 84.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.61 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.3 mt -66.38 -40.61 89.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.359 178.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -67.45 -26.61 66.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.606 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.2 m -63.95 -48.92 74.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.389 177.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -166.82 108.01 0.66 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.215 0.531 . . . . 0.0 110.691 176.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 156.8 -95.56 0.15 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.663 178.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.48 ' CE3' HG11 ' A' ' 74' ' ' VAL . 45.3 m0 -90.38 134.41 34.35 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.871 0.367 . . . . 0.0 111.854 -175.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -98.36 119.81 60.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.816 173.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.521 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 74.1 Cg_endo -76.32 108.69 2.72 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.412 2.075 . . . . 0.0 111.537 177.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.0 m -100.59 -176.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.4 0.619 . . . . 0.0 112.145 -175.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.627 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 44.9 mt-10 -143.42 174.12 11.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.872 -174.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.77 -28.67 19.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.931 0.396 . . . . 0.0 110.659 177.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 m -72.24 -2.78 20.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.364 -173.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.7 t -155.57 17.56 0.39 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.732 0.301 . . . . 0.0 111.348 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.627 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 7.1 p -68.35 -39.49 80.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.898 0.38 . . . . 0.0 111.025 -177.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -73.23 -27.76 61.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -77.92 -37.83 46.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.863 0.363 . . . . 0.0 110.072 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.416 ' O ' HG22 ' A' ' 34' ' ' VAL . 49.0 t90 -65.71 -49.48 68.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.449 179.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.432 HD11 HD11 ' A' ' 39' ' ' ILE . 27.3 mm -59.9 -37.25 71.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.978 0.418 . . . . 0.0 110.525 177.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.441 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 1.2 tmmt? -61.39 -34.03 74.66 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.896 177.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 33' ' ' ARG . 26.5 ttt180 -81.05 -46.62 14.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.006 0.431 . . . . 0.0 111.578 -178.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.468 ' HB ' ' NE2' ' A' ' 71' ' ' GLN . 35.3 m -81.43 -33.31 12.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.25 -175.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.19 -53.57 4.64 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 111.932 -0.467 . . . . 0.0 111.932 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -122.73 127.57 49.38 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.715 0.293 . . . . 0.0 110.64 -176.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.8 176.82 44.34 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.118 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' ' 97' ' ' VAL . 15.8 m -134.32 142.33 41.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.714 0.257 . . . . 0.0 111.084 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.47 HG22 HD12 ' A' ' 41' ' ' LEU . 2.4 mp -111.83 119.85 60.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 175.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.581 HD11 ' HB2' ' A' ' 55' ' ' PRO . 4.5 tt -95.2 119.92 34.53 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 177.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.47 HD12 HG22 ' A' ' 39' ' ' ILE . 8.2 mp -93.43 139.54 30.58 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.518 0.192 . . . . 0.0 111.518 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.9 m 80.03 142.99 0.08 Allowed 'General case' 0 N--CA 1.469 0.495 0 O-C-N 124.089 0.868 . . . . 0.0 112.15 173.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.1 m -142.36 107.94 5.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.554 178.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.9 t70 58.27 89.78 0.1 Allowed Pre-proline 0 N--CA 1.471 0.618 0 C-N-CA 123.365 0.666 . . . . 0.0 111.966 178.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -89.96 159.89 4.95 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 122.673 2.248 . . . . 0.0 112.717 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.4 ' HB3' ' HE ' ' A' ' 46' ' ' ARG . 13.9 mtp180 -85.01 -53.9 4.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.909 175.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -93.6 132.08 38.26 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.131 -173.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.5 m -141.44 125.47 10.19 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.661 175.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.52 56.24 2.74 Favored 'Trans proline' 0 CA--C 1.533 0.44 0 C-N-CA 122.947 2.431 . . . . 0.0 112.736 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.654 ' HG2' HG23 ' A' ' 51' ' ' VAL . 44.8 tt0 70.44 149.26 0.08 Allowed 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.424 0.69 . . . . 0.0 111.086 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.654 HG23 ' HG2' ' A' ' 50' ' ' GLU . 54.1 t 66.18 88.01 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.468 0.651 . . . . 0.0 109.988 -178.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.8 p -109.47 156.82 19.62 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.817 -177.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -156.21 -164.88 1.78 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 178.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.547 HD22 ' N ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -149.39 139.3 13.22 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 121.283 0.563 . . . . 0.0 111.119 -178.189 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.581 ' HB2' HD11 ' A' ' 40' ' ' LEU . 97.3 Cg_endo -77.37 44.74 1.57 Allowed 'Trans proline' 0 CA--C 1.532 0.406 0 C-N-CA 123.476 2.784 . . . . 0.0 114.117 -170.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.4 t -76.1 -13.86 14.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.198 0.523 . . . . 0.0 110.022 176.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.6 mmt -55.79 -34.16 65.05 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.563 -178.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.9 mp -64.87 -35.16 74.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.73 0.3 . . . . 0.0 111.112 -177.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.69 98.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.007 0.432 . . . . 0.0 111.054 -178.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -75.49 -41.44 55.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.358 0.599 . . . . 0.0 109.963 178.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.564 HD11 HD21 ' A' ' 116' ' ' LEU . 1.3 tt -63.51 -46.96 83.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.368 -175.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.553 ' HG ' ' HB ' ' A' ' 72' ' ' VAL . 0.3 OUTLIER -63.45 -33.88 76.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.033 -172.277 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 63' ' ' ARG . 23.7 mtp180 -79.08 -8.08 58.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.557 -177.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -97.98 -87.53 0.33 Allowed 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.038 178.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 24.72 87.57 0.08 OUTLIER Pre-proline 0 N--CA 1.467 0.422 0 O-C-N 124.781 1.301 . . . . 0.0 113.425 -174.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.21 -11.97 33.62 Favored 'Trans proline' 0 CA--C 1.529 0.244 0 C-N-CA 122.631 2.221 . . . . 0.0 112.441 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -73.57 -59.04 2.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.995 -178.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -161.7 -178.5 6.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.432 -176.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -112.55 140.06 47.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.557 179.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -152.76 171.59 18.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.911 -177.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.468 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 2.0 mp0 -86.05 146.51 26.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.972 0.415 . . . . 0.0 111.328 -177.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.553 ' HB ' ' HG ' ' A' ' 62' ' ' LEU . 5.4 p -114.04 129.58 69.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.31 178.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -133.08 141.67 48.32 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.141 0.496 . . . . 0.0 111.217 -177.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.521 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 16.5 m -131.67 158.52 43.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.265 179.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -140.44 144.37 36.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.028 0.442 . . . . 0.0 111.463 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -67.49 163.31 21.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.002 179.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.2 tt -60.25 -36.83 78.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.25 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.26 -38.58 89.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.271 0.557 . . . . 0.0 110.417 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.423 ' O ' HG13 ' A' ' 83' ' ' ILE . 15.0 mm100 -76.29 -31.08 58.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.111 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.1 t -52.54 -46.03 66.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.174 -174.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -57.78 -46.7 84.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 -177.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.14 -36.16 77.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.164 -178.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 79' ' ' GLN . 65.7 mt -65.66 -39.68 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.007 0.432 . . . . 0.0 110.439 179.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.443 ' HA2' ' HB ' ' A' ' 89' ' ' VAL . . . -61.69 -28.01 69.21 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.233 176.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -77.86 -37.02 49.22 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.203 0.525 . . . . 0.0 110.244 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.406 ' HG2' ' CG1' ' A' ' 27' ' ' VAL . 25.8 tpt180 -52.12 -48.4 64.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.723 -1.126 . . . . 0.0 112.217 -173.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -131.96 21.46 4.54 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.776 -177.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 58.8 t30 71.56 80.72 0.15 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.937 170.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.443 ' HB ' ' HA2' ' A' ' 84' ' ' GLY . 65.8 t -112.11 102.43 13.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.914 174.119 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.71 -179.82 3.86 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 175.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.5 ' O ' ' HB2' ' A' ' 92' ' ' PHE . 10.3 tpt180 64.99 31.08 11.51 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 123.506 0.504 . . . . 0.0 110.587 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.5 ' HB2' ' O ' ' A' ' 91' ' ' ARG . 79.4 m-85 77.73 149.6 0.12 Allowed Pre-proline 0 N--CA 1.47 0.557 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.704 179.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -70.26 165.93 29.9 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.194 2.596 . . . . 0.0 113.408 -176.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -163.3 -161.6 0.68 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.454 -177.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.9 m -109.87 115.61 30.13 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 176.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.523 ' HA ' ' HA ' ' A' ' 106' ' ' ALA . 6.3 mp -94.07 143.18 26.59 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.989 0.423 . . . . 0.0 111.196 -175.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.509 ' HA ' HG12 ' A' ' 38' ' ' VAL . 58.6 t -101.64 115.4 43.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.75 -175.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.486 ' CZ ' HD13 ' A' ' 103' ' ' LEU . 49.7 m-85 -113.31 112.53 23.85 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.965 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 70.0 p -133.12 153.6 51.37 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 67.43 16.95 10.08 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 123.29 0.369 . . . . 0.0 110.644 178.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 76.68 7.56 85.89 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.963 -176.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -125.86 156.68 39.23 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 121.021 0.439 . . . . 0.0 111.032 -177.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.486 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 51.3 tp -80.31 110.97 16.25 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -88.13 -29.6 20.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.059 -177.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 166.24 -158.4 31.31 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.189 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.523 ' HA ' ' HA ' ' A' ' 96' ' ' LEU . . . -138.48 158.44 44.27 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 107' ' ' LEU . 0.2 OUTLIER -102.09 91.21 4.23 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -179.012 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.3 m -120.89 93.45 4.03 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.936 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.645 ' HA3' ' HG3' ' A' ' 115' ' ' GLU . . . -132.09 162.46 23.92 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.013 -178.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 17.7 tt -117.92 -11.02 11.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.307 0.575 . . . . 0.0 110.764 -177.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.512 ' O ' ' HG2' ' A' ' 115' ' ' GLU . 72.8 m-70 -99.99 131.3 24.58 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.46 177.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.27 107.38 0.36 Allowed 'Trans proline' 0 CA--C 1.529 0.241 0 C-N-CA 122.783 2.322 . . . . 0.0 112.585 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 74.0 -38.78 0.41 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.896 0.878 . . . . 0.0 112.529 175.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.58 -30.95 44.72 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -175.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.645 ' HG3' ' HA3' ' A' ' 109' ' ' GLY . 4.4 mm-40 -62.77 -30.64 71.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 110.985 -178.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.564 HD21 HD11 ' A' ' 61' ' ' LEU . 64.5 mt -63.62 -32.76 74.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.272 -178.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.461 ' O ' ' HB2' ' A' ' 121' ' ' ARG . 0.2 OUTLIER -59.84 -38.36 81.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.72 -177.275 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.6 m -88.35 -51.14 5.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.443 178.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.413 ' O ' HG13 ' A' ' 123' ' ' ILE . 93.9 mt -64.78 -50.09 68.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.911 -173.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 55.6 ttp -65.83 -33.8 76.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.923 0.392 . . . . 0.0 110.3 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 73.7 ttt180 -58.65 -41.34 85.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.301 178.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 24.8 t -75.48 -42.96 51.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.023 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 119' ' ' LEU . 84.9 mt -62.07 -49.35 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.302 -177.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 11.8 m -121.31 70.67 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.931 0.872 . . . . 0.0 110.591 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -73.04 -54.96 7.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.61 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.3 t -150.39 143.97 17.0 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.646 -176.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -66.87 -18.0 52.24 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.876 2.384 . . . . 0.0 112.285 177.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -103.99 27.86 7.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.577 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.43 157.71 37.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.653 -178.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -78.31 125.24 29.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.945 175.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -62.23 144.63 55.28 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 4.1 m -129.17 163.22 26.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.199 -175.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.435 ' O ' HG12 ' A' ' 133' ' ' VAL . 14.0 t 70.02 27.99 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-O 122.139 0.971 . . . . 0.0 109.724 -179.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 19.1 pm0 . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.783 176.493 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ttt . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -133.89 93.82 3.17 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 177.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -97.07 122.27 39.88 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.392 -174.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -123.91 127.0 47.35 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.392 -178.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.8 m -153.4 80.36 5.25 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.053 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -95.4 102.86 0.11 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 123.156 2.571 . . . . 0.0 112.451 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -84.95 -69.19 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.8 m -82.09 -29.18 31.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.185 0.517 . . . . 0.0 109.975 178.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.56 -28.6 69.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.125 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.523 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 47.3 tp -60.46 -43.38 96.94 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.423 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.55 ' CZ3' ' HG3' ' A' ' 21' ' ' PRO . 0.7 OUTLIER -58.55 -41.84 86.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.215 177.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -64.81 -38.23 90.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.816 0.341 . . . . 0.0 110.329 -178.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -73.12 -28.17 62.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.23 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 58.1 mt -68.82 -53.47 21.32 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.532 177.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.7 mp -53.58 -24.69 14.54 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -177.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.9 m -53.37 -39.55 64.3 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 178.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -157.13 -34.5 0.08 Allowed 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 -174.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 19' ' ' TRP . . . -136.29 149.14 20.01 Favored Glycine 0 C--O 1.225 -0.442 0 C-N-CA 119.912 -1.137 . . . . 0.0 113.365 -172.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.423 ' HB2' ' O ' ' A' ' 18' ' ' GLY . 60.8 m95 74.18 109.81 0.07 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.819 0.819 . . . . 0.0 110.86 -176.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.559 ' NE2' ' HD2' ' A' ' 21' ' ' PRO . 32.4 tp60 -114.09 117.06 44.18 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.898 -176.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.685 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 37.0 Cg_exo -55.25 121.71 10.4 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.268 1.978 . . . . 0.0 111.519 175.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.607 HG21 HG23 ' A' ' 39' ' ' ILE . 1.2 m -84.93 175.52 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.237 0.542 . . . . 0.0 111.37 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.587 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 40.7 mt-10 -136.66 176.14 8.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.675 -174.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.72 -29.94 15.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.117 0.484 . . . . 0.0 110.85 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 m -83.23 -44.51 14.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.197 -177.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.407 ' OG1' ' HB2' ' A' ' 23' ' ' GLU . 20.8 p -91.71 -4.25 55.31 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -172.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.587 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 10.8 p -60.4 -37.71 75.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 120.705 0.288 . . . . 0.0 111.217 -176.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -62.55 -45.88 90.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.227 0.537 . . . . 0.0 110.314 -178.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 22.9 t70 -74.57 -31.22 62.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.628 -178.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 71.2 t90 -62.12 -48.46 80.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.807 175.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.48 ' HA ' HG22 ' A' ' 34' ' ' VAL . 79.8 mt -61.06 -38.42 79.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.146 176.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 32' ' ' LYS . 2.6 tmmm? -55.66 -43.35 76.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.085 175.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -77.39 -45.75 24.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.842 -174.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.48 HG22 ' HA ' ' A' ' 31' ' ' ILE . 25.6 m -77.36 -43.9 30.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.815 -174.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.92 -48.53 2.37 Favored Glycine 0 C--O 1.234 0.126 0 N-CA-C 111.965 -0.454 . . . . 0.0 111.965 -177.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.451 ' HA ' ' O ' ' A' ' 98' ' ' PHE . 9.3 m-20 -127.0 110.05 12.55 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.058 -0.571 . . . . 0.0 109.463 -179.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.54 176.98 44.61 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.637 -177.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.531 HG12 ' HA ' ' A' ' 97' ' ' VAL . 15.7 m -133.97 133.34 56.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.025 0.44 . . . . 0.0 111.708 -178.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.607 HG23 HG21 ' A' ' 22' ' ' VAL . 2.7 mp -101.03 115.37 42.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 174.322 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.422 HD22 HG23 ' A' ' 74' ' ' VAL . 5.3 tt -92.83 120.11 32.85 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 177.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.418 HD12 HG22 ' A' ' 39' ' ' ILE . 10.5 mp -85.76 131.68 34.27 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.514 -178.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 61.0 p 58.25 114.97 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.625 1.17 . . . . 0.0 113.597 176.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.1 m -71.19 -43.83 66.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.867 175.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.471 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 54.1 t0 -135.5 117.62 12.29 Favored Pre-proline 0 C--N 1.329 -0.285 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 173.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.766 ' HG3' ' HG3' ' A' ' 93' ' ' PRO . 3.0 Cg_exo -75.55 -19.07 17.09 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 122.915 2.41 . . . . 0.0 113.199 -178.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -147.76 -75.64 0.18 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.624 0.25 . . . . 0.0 111.468 -175.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -177.05 108.02 0.07 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.393 -174.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.479 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 7.9 t -90.66 118.87 68.99 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-O 121.246 0.546 . . . . 0.0 110.683 173.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 48' ' ' THR . 2.3 Cg_endo -85.81 114.71 1.43 Allowed 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 123.037 2.491 . . . . 0.0 111.926 177.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.447 ' O ' ' HB ' ' A' ' 51' ' ' VAL . 1.6 mp0 64.62 -160.18 0.29 Allowed 'General case' 0 C--O 1.234 0.276 0 O-C-N 123.577 0.548 . . . . 0.0 110.942 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.447 ' HB ' ' O ' ' A' ' 50' ' ' GLU . 85.7 t 78.06 134.11 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 O-C-N 123.712 0.633 . . . . 0.0 111.297 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.1 m -84.33 129.37 34.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.678 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.58 ' OD1' ' HD2' ' A' ' 55' ' ' PRO . 2.1 t70 73.16 166.14 0.3 Allowed 'General case' 0 N--CA 1.472 0.625 0 O-C-N 124.034 0.834 . . . . 0.0 110.651 177.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.618 ' H ' ' HD2' ' A' ' 55' ' ' PRO . 13.8 m120 -129.7 -56.92 0.03 OUTLIER Pre-proline 0 CA--C 1.534 0.336 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -175.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.618 ' HD2' ' H ' ' A' ' 54' ' ' ASN . 79.8 Cg_endo -78.85 44.63 1.71 Allowed 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 121.957 1.771 . . . . 0.0 113.276 -177.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.429 ' O ' ' HB3' ' A' ' 57' ' ' MET . 26.7 m -73.77 169.12 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.345 177.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.429 ' HB3' ' O ' ' A' ' 56' ' ' VAL . 38.9 ttp 75.76 -47.22 0.58 Allowed 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.156 0.582 . . . . 0.0 110.554 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.444 ' H ' HD12 ' A' ' 58' ' ' ILE . 5.2 mp -68.68 -31.63 51.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 171.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.23 -48.48 79.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.168 178.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.505 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 2.1 mp0 -60.02 -42.13 93.66 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.675 177.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -54.34 -45.25 72.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.575 0.702 . . . . 0.0 109.784 176.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -70.33 -4.63 23.11 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.879 -1.055 . . . . 0.0 112.393 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.587 ' NE ' ' HA ' ' A' ' 63' ' ' ARG . 4.0 mmp_? -109.82 -47.43 3.35 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 13.1 pt-20 -95.56 24.3 5.35 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -173.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.479 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 2.0 t80 -90.65 107.59 21.39 Favored Pre-proline 0 C--N 1.329 -0.295 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 176.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 65' ' ' PHE . 5.8 Cg_exo -78.64 15.85 1.37 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.445 2.763 . . . . 0.0 113.372 -173.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -126.22 -46.03 1.66 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -176.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.563 ' HZ ' HG11 ' A' ' 124' ' ' VAL . 68.4 m-85 -113.84 111.65 22.08 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -169.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -88.6 58.05 4.48 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 163.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -89.78 -175.23 4.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.822 -1.081 . . . . 0.0 112.155 -171.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -112.49 120.58 42.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.83 -172.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.3 p -102.4 139.89 22.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.872 -177.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.526 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -143.37 151.95 41.03 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.49 177.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.685 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 4.3 p -135.85 143.09 37.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.956 0.407 . . . . 0.0 110.692 -177.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.54 ' HB1' ' HB2' ' A' ' 79' ' ' GLN . . . -96.19 149.5 21.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.558 177.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -68.07 -81.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.788 -177.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -155.04 -45.89 0.08 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 121.108 -0.237 . . . . 0.0 110.999 174.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.68 -43.79 97.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.607 0.718 . . . . 0.0 110.106 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.54 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . 17.9 mp0 -68.93 -30.35 68.79 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.496 -178.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.6 t -53.84 -55.31 27.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.986 -175.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -65.43 -37.41 86.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.762 0.315 . . . . 0.0 110.995 -175.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.29 -40.19 89.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.985 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.545 HG21 HG21 ' A' ' 39' ' ' ILE . 87.3 mt -70.7 -42.82 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.263 176.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -59.62 -40.41 96.38 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 111.715 177.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -56.95 -32.06 65.64 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 123.075 0.55 . . . . 0.0 111.743 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -34.0 56.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.923 -179.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.14 10.49 10.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.983 0.421 . . . . 0.0 110.612 177.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 64.6 t30 66.96 30.35 7.64 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.481 175.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.4 t -94.14 121.7 44.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.622 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.421 ' O ' ' HG3' ' A' ' 91' ' ' ARG . 20.0 ttm180 -147.47 94.28 2.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.722 179.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 90' ' ' ARG . 10.8 mtm180 172.09 111.77 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.192 0.997 . . . . 0.0 109.532 171.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 67.83 164.8 0.13 Allowed Pre-proline 0 N--CA 1.468 0.452 0 O-C-N 123.964 0.79 . . . . 0.0 111.497 177.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.766 ' HG3' ' HG3' ' A' ' 45' ' ' PRO . 16.9 Cg_exo -67.12 133.38 30.64 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.236 1.957 . . . . 0.0 111.072 173.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.949 ' HA ' ' HA ' ' A' ' 108' ' ' SER . . . -134.08 141.97 47.37 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.618 0.246 . . . . 0.0 110.933 -177.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.475 HG22 ' HB ' ' A' ' 38' ' ' VAL . 7.0 m -118.17 116.15 26.23 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 175.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.603 ' HG ' ' HB2' ' A' ' 106' ' ' ALA . 6.3 mp -92.54 139.91 30.09 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.066 0.46 . . . . 0.0 111.244 -176.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.531 ' HA ' HG12 ' A' ' 38' ' ' VAL . 45.3 t -97.07 106.15 18.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.914 -176.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.458 ' CE2' HD13 ' A' ' 103' ' ' LEU . 41.2 m-85 -101.72 110.84 22.9 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.169 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.8 p -138.0 149.57 46.21 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.616 -0.266 . . . . 0.0 110.364 -177.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.2 t70 70.8 11.16 7.14 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.506 0.67 . . . . 0.0 110.064 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.33 -2.37 85.01 Favored Glycine 0 N--CA 1.444 -0.83 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.53 -175.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.9 pttm -128.76 165.29 21.22 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 121.43 0.633 . . . . 0.0 112.375 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.458 HD13 ' CE2' ' A' ' 98' ' ' PHE . 56.2 tp -89.13 121.96 31.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.274 -178.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 54.8 mtt180 -105.4 -14.93 15.17 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 153.25 -163.75 30.72 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.039 -1.077 . . . . 0.0 112.766 177.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.603 ' HB2' ' HG ' ' A' ' 96' ' ' LEU . . . -132.48 153.88 50.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.754 0.312 . . . . 0.0 110.676 -178.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.06 -10.24 15.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.204 -178.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.949 ' HA ' ' HA ' ' A' ' 94' ' ' ALA . 24.2 m 60.75 -163.55 0.25 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.143 -172.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.496 ' O ' HG22 ' A' ' 110' ' ' ILE . . . -84.13 -21.07 57.93 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.511 173.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.763 HG12 ' H ' ' A' ' 111' ' ' HIS . 5.8 tt 55.06 -174.03 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 C-N-CA 124.225 1.01 . . . . 0.0 112.138 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.763 ' H ' HG12 ' A' ' 110' ' ' ILE . 15.2 t-160 -165.43 -51.34 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.41 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.716 ' HD3' ' HB3' ' A' ' 111' ' ' HIS . 5.1 Cg_exo -80.3 168.39 18.48 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 122.21 1.94 . . . . 0.0 111.4 174.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -137.26 83.15 1.97 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.19 0.519 . . . . 0.0 110.225 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -148.41 -41.91 0.16 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.207 175.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.602 ' CD ' ' H ' ' A' ' 115' ' ' GLU . 0.8 OUTLIER -76.56 -23.25 53.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.815 -177.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.3 mt -53.99 -32.56 54.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.56 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.4 ' HA ' HD22 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -64.1 -46.1 85.71 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.763 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.8 m -71.76 -40.77 69.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.736 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 93.3 mt -59.38 -44.2 92.81 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.25 178.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -58.14 -44.18 87.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.354 177.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.419 ' HA ' ' HD2' ' A' ' 121' ' ' ARG . 7.0 tpt180 -68.52 -29.66 68.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -178.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.8 t -75.66 -39.09 58.18 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.039 0.447 . . . . 0.0 110.536 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.433 HG22 HG13 ' A' ' 124' ' ' VAL . 79.9 mt -74.7 -48.67 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.027 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.563 HG11 ' HZ ' ' A' ' 68' ' ' PHE . 6.0 m -130.97 76.4 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.799 0.809 . . . . 0.0 111.428 -178.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -66.3 -40.07 89.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.568 174.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.6 p -76.32 130.58 77.02 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.992 174.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -61.44 99.17 0.16 Allowed 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.831 2.354 . . . . 0.0 112.112 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.54 112.54 24.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.247 179.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . 69.45 168.26 0.29 Allowed 'General case' 0 N--CA 1.465 0.291 0 O-C-N 124.205 0.94 . . . . 0.0 111.317 -177.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.68 98.75 5.1 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -179.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -108.74 120.87 43.76 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.228 0.537 . . . . 0.0 111.155 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 23.1 m -95.3 89.1 5.36 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.523 176.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 6.0 m -80.05 86.39 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.597 0.713 . . . . 0.0 111.507 -176.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.435 178.156 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.7 mtm . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 120.914 0.388 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.35 159.36 21.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.081 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -87.45 91.65 8.8 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.712 -176.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -60.46 124.36 20.12 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.164 0.507 . . . . 0.0 110.116 176.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.3 m -132.56 105.0 13.11 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.014 -171.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.62 146.96 35.03 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.703 2.269 . . . . 0.0 110.654 170.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -60.54 -47.4 86.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.745 0.307 . . . . 0.0 111.376 -176.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.0 m -65.76 -37.65 86.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.049 -178.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.08 -41.33 74.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.906 0.384 . . . . 0.0 110.555 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.482 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 67.2 tp -59.07 -43.91 91.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.19 177.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.523 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 76.6 t-105 -56.29 -51.43 68.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.939 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -65.19 -33.95 77.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.969 0.414 . . . . 0.0 110.778 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -68.86 -36.79 78.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.051 178.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 95.6 mt -68.71 -31.34 70.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.452 176.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 11' ' ' TRP . 82.3 mt -66.18 -26.05 67.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.082 0.468 . . . . 0.0 110.369 175.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 m -73.49 -29.54 62.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.247 0.546 . . . . 0.0 109.84 175.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -71.35 -25.01 62.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.801 176.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.4 -135.1 6.84 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.206 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.502 ' CE3' HG11 ' A' ' 74' ' ' VAL . 45.6 m0 69.68 176.63 0.27 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.758 0.789 . . . . 0.0 112.641 173.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -145.33 114.06 4.83 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 114.847 -1.069 . . . . 0.0 109.462 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -71.27 106.84 2.0 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.091 1.861 . . . . 0.0 111.93 178.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.463 HG21 HG13 ' A' ' 39' ' ' ILE . 16.8 m -99.9 178.49 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.533 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 46.4 mt-10 -141.89 173.29 11.64 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.148 -173.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.518 ' HB2' HG13 ' A' ' 83' ' ' ILE . . . -97.81 -26.44 14.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.213 -177.179 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.9 m -71.2 -22.51 62.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.251 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.4 t -135.38 20.95 3.39 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.814 0.34 . . . . 0.0 110.95 -175.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.533 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 7.6 p -60.33 -47.5 92.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.194 -176.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.1 -41.69 90.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.592 -177.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -66.65 -36.91 83.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.682 0.277 . . . . 0.0 110.872 -178.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -65.11 -45.82 83.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.894 0.378 . . . . 0.0 110.307 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.44 HD13 ' CD2' ' A' ' 98' ' ' PHE . 70.5 mt -61.79 -32.3 53.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.203 178.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.419 ' HE2' ' HB3' ' A' ' 32' ' ' LYS . 2.9 tmmm? -63.29 -36.23 82.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.351 175.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.33 -45.28 22.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.106 -174.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.441 ' HB ' ' NE2' ' A' ' 71' ' ' GLN . 26.9 m -87.17 -40.96 14.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -175.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.62 -62.38 0.71 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.414 -0.422 . . . . 0.0 112.059 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.473 ' OD1' ' HA ' ' A' ' 99' ' ' THR . 15.5 m-20 -117.94 150.27 39.51 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -176.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.85 -172.76 39.8 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.388 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.421 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 16.8 m -139.0 143.76 30.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.457 0.17 . . . . 0.0 110.627 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.463 HG13 HG21 ' A' ' 22' ' ' VAL . 2.1 mp -120.34 133.78 65.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 176.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.521 HD11 HG13 ' A' ' 58' ' ' ILE . 34.0 mt -83.6 140.61 32.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.743 176.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.6 mp -117.82 121.45 40.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.362 175.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.8 m 70.07 139.76 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.976 0.894 . . . . 0.0 113.176 174.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.0 p -113.19 29.45 7.98 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.59 175.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.503 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 12.9 m-20 -83.48 130.46 56.14 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.858 -177.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.503 ' HD3' ' HA ' ' A' ' 44' ' ' ASP . 3.8 Cg_exo -74.96 149.8 37.42 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 123.003 2.469 . . . . 0.0 113.085 -177.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -112.56 19.12 17.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.236 176.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 71.55 116.6 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 114.753 -1.112 . . . . 0.0 110.979 -176.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -157.43 119.97 2.12 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.493 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -90.89 -13.01 2.21 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 122.984 2.456 . . . . 0.0 112.739 175.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -171.17 -37.69 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -175.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.6 m -62.65 -15.53 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -174.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.512 ' O ' ' HB3' ' A' ' 53' ' ' ASP . 49.0 m -153.77 -153.93 0.49 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.512 ' HB3' ' O ' ' A' ' 52' ' ' SER . 16.6 t0 79.93 159.63 0.17 Allowed 'General case' 0 N--CA 1.47 0.549 0 O-C-N 124.076 0.86 . . . . 0.0 110.419 -179.133 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 65.25 90.6 0.09 OUTLIER Pre-proline 0 N--CA 1.466 0.36 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.178 -171.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.42 ' HB2' ' HH2' ' A' ' 19' ' ' TRP . 15.1 Cg_exo -68.09 95.17 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.75 2.3 . . . . 0.0 112.464 -177.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.4 m -133.75 -30.48 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.033 176.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -47.62 -34.99 8.6 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.455 -176.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.521 HG13 HD11 ' A' ' 40' ' ' LEU . 44.8 mm -60.75 -33.77 56.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-O 120.893 0.377 . . . . 0.0 110.901 -177.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.461 ' HB2' ' HE1' ' A' ' 19' ' ' TRP . . . -78.1 -44.98 24.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.95 0.405 . . . . 0.0 111.044 179.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.55 -29.01 68.99 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.479 -178.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -41.0 63.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.152 0.501 . . . . 0.0 109.793 174.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.5 tp -66.97 -34.09 77.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 86.2 mtt-85 -64.04 -35.26 80.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -106.26 22.86 15.05 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.032 -174.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -112.2 90.25 13.57 Favored Pre-proline 0 C--N 1.331 -0.234 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.355 175.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -87.42 10.06 3.66 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.78 2.32 . . . . 0.0 112.393 -178.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -72.57 -39.59 67.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.371 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -177.16 -172.97 0.42 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.665 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -117.33 127.25 53.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.905 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -135.37 173.27 11.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.864 175.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.441 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -94.24 123.72 37.8 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.008 0.433 . . . . 0.0 110.657 -178.75 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.421 HG23 HG22 ' A' ' 58' ' ' ILE . 3.0 p -80.68 113.61 20.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.244 176.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -123.94 151.94 43.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.986 0.422 . . . . 0.0 111.072 -176.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.502 HG11 ' CE3' ' A' ' 19' ' ' TRP . 32.4 m -141.63 158.66 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.833 -175.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -114.98 157.17 23.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.032 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.409 ' OD1' HD22 ' A' ' 77' ' ' LEU . 6.3 t70 -82.65 -79.44 0.19 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.783 0.325 . . . . 0.0 110.859 -174.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.455 HD23 ' H ' ' A' ' 78' ' ' GLU . 2.2 pt? -157.72 -40.33 0.07 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.735 0.303 . . . . 0.0 111.146 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.455 ' H ' HD23 ' A' ' 77' ' ' LEU . 32.7 tt0 -77.46 -32.23 54.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.11 0.481 . . . . 0.0 110.825 -176.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.455 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 24.9 mp0 -62.66 -29.28 70.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.044 -178.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.7 m -50.46 -49.82 54.16 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 122.736 0.415 . . . . 0.0 111.803 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -62.36 -49.42 75.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.198 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.31 -35.1 71.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.731 -173.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.518 HG13 ' HB2' ' A' ' 24' ' ' ALA . 75.5 mt -68.31 -47.61 77.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.99 0.424 . . . . 0.0 110.114 176.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -65.24 -29.27 74.88 Favored Glycine 0 C--O 1.223 -0.579 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.155 178.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -75.33 -32.53 60.93 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.242 0.544 . . . . 0.0 110.791 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -51.24 -43.57 61.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.886 -178.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.478 ' HD1' HG23 ' A' ' 89' ' ' VAL . 0.9 OUTLIER -132.9 16.54 4.23 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -177.577 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 42.6 t30 63.73 80.61 0.23 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.436 0.636 . . . . 0.0 112.148 174.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.478 HG23 ' HD1' ' A' ' 87' ' ' PHE . 97.9 t -134.38 146.79 30.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.549 175.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.65 ' HB3' ' HD2' ' A' ' 92' ' ' PHE . 21.4 mmt180 -58.56 139.92 55.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.909 0.385 . . . . 0.0 111.738 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 74.1 mtm180 -84.07 75.74 10.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.085 0.469 . . . . 0.0 110.396 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.65 ' HD2' ' HB3' ' A' ' 90' ' ' ARG . 76.6 m-85 -135.54 152.4 76.28 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.247 177.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -56.1 100.71 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.807 2.338 . . . . 0.0 112.333 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -149.7 177.18 10.01 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.34 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.83 ' HB ' HD23 ' A' ' 107' ' ' LEU . 7.4 m -134.52 130.87 37.28 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.52 HD23 ' HB2' ' A' ' 106' ' ' ALA . 94.6 mt -92.46 142.2 27.68 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.69 0.281 . . . . 0.0 110.467 178.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.623 HG11 HG21 ' A' ' 123' ' ' ILE . 25.1 t -99.59 115.68 41.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.392 -178.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.473 ' CZ ' HD13 ' A' ' 103' ' ' LEU . 93.0 m-85 -112.38 116.94 31.14 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.086 0.47 . . . . 0.0 109.761 177.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.473 ' HA ' ' OD1' ' A' ' 36' ' ' ASP . 1.1 p -145.16 151.47 38.49 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.881 -178.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.673 ' HB2' HH12 ' A' ' 104' ' ' ARG . 3.7 t70 73.32 11.22 4.98 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.567 0.699 . . . . 0.0 109.624 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.14 -4.71 84.61 Favored Glycine 0 N--CA 1.442 -0.913 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.309 -175.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -127.56 175.1 8.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.252 0.548 . . . . 0.0 111.672 -176.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.473 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 59.5 tp -80.14 126.61 31.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.071 177.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.749 ' HG2' HG23 ' A' ' 123' ' ' ILE . 0.5 OUTLIER -98.45 -34.05 10.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.136 0.493 . . . . 0.0 110.154 -179.17 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 159.04 -137.88 5.39 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.39 -178.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.52 ' HB2' HD23 ' A' ' 96' ' ' LEU . . . -147.54 165.35 30.61 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.213 -0.292 . . . . 0.0 110.213 -179.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.83 HD23 ' HB ' ' A' ' 95' ' ' THR . 3.4 mm? -82.25 76.92 9.1 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 176.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.2 p -85.48 71.71 10.74 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.412 0.625 . . . . 0.0 110.954 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -110.4 -166.25 19.34 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.715 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 48.2 mm -105.08 -60.75 2.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.823 0.311 . . . . 0.0 111.453 -178.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.507 ' HB3' ' HD3' ' A' ' 112' ' ' PRO . 3.5 t60 -168.15 -53.54 0.0 OUTLIER Pre-proline 0 CA--C 1.539 0.523 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -174.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.507 ' HD3' ' HB3' ' A' ' 111' ' ' HIS . 98.4 Cg_endo -84.2 -162.0 0.15 Allowed 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 121.932 1.755 . . . . 0.0 113.324 -174.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -110.86 77.94 1.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.521 178.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -140.38 -47.43 0.43 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.288 0.566 . . . . 0.0 110.352 177.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.469 ' O ' HD23 ' A' ' 119' ' ' LEU . 1.8 pm0 -68.05 -27.72 66.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.234 -0.893 . . . . 0.0 110.243 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 43.1 mt -54.99 -37.66 66.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.726 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.34 -44.57 94.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.007 0.432 . . . . 0.0 110.764 -178.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.4 m -70.62 -43.52 69.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.981 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' ' 115' ' ' GLU . 2.9 mm? -62.26 -50.91 69.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.732 -179.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.589 ' O ' HG22 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -65.6 -30.42 71.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.059 -176.068 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -58.13 -40.83 82.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.9 0.381 . . . . 0.0 111.065 -177.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 34.9 t -76.46 -34.36 58.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.64 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.749 HG23 ' HG2' ' A' ' 104' ' ' ARG . 83.2 mt -73.0 -49.82 36.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.553 -176.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 120' ' ' MET . 35.0 m -100.36 67.96 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 122.391 1.091 . . . . 0.0 109.23 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -39.38 -47.93 1.84 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 113.176 -1.829 . . . . 0.0 113.087 -176.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.43 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . 10.5 t -155.41 140.65 12.35 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-O 120.744 0.306 . . . . 0.0 111.092 -179.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 126' ' ' THR . 13.6 Cg_exo -69.8 130.75 19.83 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.814 2.343 . . . . 0.0 110.608 172.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 62.08 93.91 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 O-C-N 123.786 0.679 . . . . 0.0 110.829 -175.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -57.97 -54.59 45.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.451 -177.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -120.57 128.61 53.23 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -77.84 81.62 4.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.246 0.546 . . . . 0.0 111.603 -176.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.2 t -112.71 113.11 25.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.589 0.709 . . . . 0.0 109.993 173.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 28.7 m -85.22 -5.03 9.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.626 -177.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 . . . . . 0 C--N 1.325 -0.469 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.537 -178.233 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.9 mmm . . . . . 0 N--CA 1.483 1.176 0 CA-C-O 120.762 0.315 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.24 159.22 42.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.14 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 62.18 29.97 17.6 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 123.455 0.472 . . . . 0.0 110.581 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -54.12 132.35 42.79 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.59 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.8 m -122.86 78.65 49.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.961 0.41 . . . . 0.0 110.827 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.406 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . 98.8 Cg_endo -100.89 -171.39 0.1 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.178 0 C-N-CA 123.468 2.778 . . . . 0.0 112.044 176.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -128.72 -67.27 0.8 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.431 176.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.8 m -69.0 -33.19 73.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.143 0.497 . . . . 0.0 110.865 -178.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.456 ' O ' ' HD2' ' A' ' 13' ' ' ARG . . . -63.3 -27.81 69.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.705 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.541 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 92.5 mt -60.94 -51.67 68.29 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.549 0.214 . . . . 0.0 110.843 -179.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.594 ' CZ3' ' HG3' ' A' ' 21' ' ' PRO . 2.3 m95 -62.72 -36.09 81.84 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.143 179.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -61.64 -39.69 92.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.316 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.456 ' HD2' ' O ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -70.8 -38.32 73.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.052 176.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.61 HD22 ' HB2' ' A' ' 19' ' ' TRP . 74.8 mt -66.58 -52.79 41.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.154 -177.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.6 mp -54.89 -24.57 23.99 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.895 178.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.0 m -58.52 -43.45 89.16 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.358 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.429 ' HA ' ' HD2' ' A' ' 17' ' ' ARG . 19.0 tpt180 -166.99 -49.13 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -177.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' A' ' 19' ' ' TRP . . . -96.89 132.97 11.21 Favored Glycine 0 C--O 1.226 -0.399 0 C-N-CA 120.323 -0.941 . . . . 0.0 112.988 -173.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.61 ' HB2' HD22 ' A' ' 14' ' ' LEU . 21.1 m95 73.48 117.23 0.05 Allowed 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.809 0.814 . . . . 0.0 111.228 -178.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -114.09 136.02 22.16 Favored Pre-proline 0 C--N 1.318 -0.773 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.233 -177.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.673 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 6.7 Cg_exo -74.11 134.4 19.39 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.183 1.922 . . . . 0.0 110.932 171.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.49 HG13 ' HB1' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -97.98 -178.04 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.103 0.478 . . . . 0.0 111.635 -179.348 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.541 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 61.8 mt-10 -139.36 164.75 29.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.493 -174.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.478 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -79.32 -46.18 18.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.038 0.447 . . . . 0.0 111.16 -176.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.8 m -79.21 -15.12 58.53 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.833 -177.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.9 m -105.58 -20.12 13.56 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.834 -176.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.622 ' O ' HG13 ' A' ' 31' ' ' ILE . 14.4 p -60.91 -35.54 65.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 O-C-N 122.178 -0.326 . . . . 0.0 111.006 -177.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -65.74 -31.43 72.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.282 0.563 . . . . 0.0 110.556 -176.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.548 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 32.4 t70 -85.91 -36.78 19.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.321 178.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.533 ' O ' HG22 ' A' ' 34' ' ' VAL . 60.2 t90 -58.29 -41.51 84.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.619 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.622 HG13 ' O ' ' A' ' 27' ' ' VAL . 96.7 mt -54.42 -50.86 54.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.148 -178.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.548 ' HE2' ' HA ' ' A' ' 29' ' ' ASP . 31.6 mtmt -60.43 -57.83 11.08 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.38 0.609 . . . . 0.0 110.695 179.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.6 ttt-85 -53.55 -46.65 70.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.296 -1.32 . . . . 0.0 112.481 -171.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 30' ' ' TRP . 22.1 m -83.53 -31.49 8.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.024 -178.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.55 -52.99 3.92 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.214 178.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -126.14 124.22 40.04 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.942 0.401 . . . . 0.0 110.087 -175.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.561 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . 175.72 -176.65 47.51 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 111.736 -0.546 . . . . 0.0 111.736 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.543 HG12 ' HA ' ' A' ' 97' ' ' VAL . 14.7 m -139.88 139.89 36.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.916 0.358 . . . . 0.0 111.211 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.47 HG21 HG21 ' A' ' 83' ' ' ILE . 2.2 mp -108.08 119.05 56.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 mp -91.7 125.2 36.34 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 174.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.426 HD11 ' HZ ' ' A' ' 87' ' ' PHE . 10.2 mp -81.55 107.08 14.02 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 173.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.542 ' HA ' ' O ' ' A' ' 76' ' ' ASP . 14.0 m 66.79 169.94 0.24 Allowed 'General case' 0 CA--C 1.533 0.297 0 O-C-N 123.724 0.64 . . . . 0.0 110.529 -171.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.1 p -113.24 -87.8 0.56 Allowed 'General case' 0 C--N 1.323 -0.574 0 O-C-N 122.116 -0.365 . . . . 0.0 110.944 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.869 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 25.0 t70 -125.08 -48.62 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.531 178.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.869 ' HD2' ' H ' ' A' ' 44' ' ' ASP . 19.2 Cg_endo -59.74 120.2 7.87 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 121.649 1.566 . . . . 0.0 110.647 170.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 46' ' ' ARG . 42.2 mtt180 -137.04 159.01 43.14 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -175.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -53.99 -41.92 68.43 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.246 0.546 . . . . 0.0 110.364 178.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.409 ' O ' HG23 ' A' ' 48' ' ' THR . 5.5 t -154.69 86.51 3.53 Favored Pre-proline 0 N--CA 1.447 -0.582 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.967 174.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -66.21 -43.19 9.03 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.469 2.113 . . . . 0.0 112.591 -178.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 65.97 -71.59 0.09 Allowed 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.841 0.713 . . . . 0.0 111.646 -178.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.4 m -82.88 166.76 2.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.663 0.268 . . . . 0.0 110.538 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.4 m -109.12 107.46 17.77 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -178.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -153.11 121.83 6.42 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -103.21 148.72 36.09 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.967 0.413 . . . . 0.0 111.511 -170.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -78.41 5.64 5.35 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.325 2.017 . . . . 0.0 112.227 178.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.3 t -68.46 -23.46 28.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 121.356 0.598 . . . . 0.0 109.918 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -63.49 -31.11 72.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.941 177.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.5 mp -68.13 -36.01 73.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-O 121.108 0.48 . . . . 0.0 109.833 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.75 -37.07 85.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.874 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.57 ' OE2' ' HD3' ' A' ' 63' ' ' ARG . 7.6 tp10 -71.22 -40.36 71.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.713 178.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.1 tt -56.44 -46.63 80.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.276 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.428 ' O ' HD23 ' A' ' 62' ' ' LEU . 5.0 tt -51.61 -41.58 61.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.936 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.57 ' HD3' ' OE2' ' A' ' 60' ' ' GLU . 74.6 mtp180 -66.21 -38.05 87.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.172 -172.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.474 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 10.0 pt-20 -104.3 22.76 14.25 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -171.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -99.16 101.36 12.4 Favored Pre-proline 0 C--N 1.331 -0.236 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 174.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.474 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 92.3 Cg_endo -91.35 11.23 2.54 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 123.006 2.471 . . . . 0.0 113.826 -173.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.99 -79.88 0.41 Allowed 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.271 -177.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -108.26 157.6 18.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.071 0.462 . . . . 0.0 111.354 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -105.75 95.11 5.57 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.561 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -100.92 165.89 11.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.27 0.557 . . . . 0.0 112.126 -173.179 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.501 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 1.9 mp0 -103.54 119.87 39.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.271 178.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.8 t -91.35 128.18 43.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.807 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.49 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -131.65 141.79 49.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.845 -179.099 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.673 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 3.5 p -132.75 140.66 46.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.478 -177.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.8 161.03 13.88 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 177.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.542 ' O ' ' HA ' ' A' ' 42' ' ' SER . 4.0 p-10 -74.21 -91.26 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.599 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.568 HD21 ' O ' ' A' ' 45' ' ' PRO . 82.3 mt -142.63 -49.3 0.35 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.185 0.517 . . . . 0.0 110.283 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -70.52 -33.4 71.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.866 -177.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.419 ' O ' HG13 ' A' ' 83' ' ' ILE . 2.9 mp0 -75.0 -32.35 61.63 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.782 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.8 m -50.71 -53.71 29.14 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -176.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.434 ' HG3' ' HE ' ' A' ' 90' ' ' ARG . 42.6 tt0 -66.56 -42.16 87.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.735 0.303 . . . . 0.0 111.169 -177.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.69 -41.84 98.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.217 -179.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.47 HG21 HG21 ' A' ' 39' ' ' ILE . 79.8 mt -68.46 -40.08 81.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.101 176.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.624 ' HA2' ' CE1' ' A' ' 87' ' ' PHE . . . -60.82 -37.31 93.46 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.528 178.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -60.44 -38.2 83.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.87 0.367 . . . . 0.0 110.625 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.445 ' HB3' ' O ' ' A' ' 83' ' ' ILE . 3.0 tpm_? -48.7 -49.4 38.08 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.376 177.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.624 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 3.1 p90 -106.1 14.98 27.02 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.791 0.329 . . . . 0.0 111.603 -179.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 63.87 21.69 12.73 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.401 174.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.469 ' HB ' ' CD1' ' A' ' 87' ' ' PHE . 61.9 t -120.47 93.58 2.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.108 0.48 . . . . 0.0 109.761 178.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.434 ' HE ' ' HG3' ' A' ' 81' ' ' GLU . 0.2 OUTLIER -133.13 25.55 4.22 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.84 -177.629 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 92' ' ' PHE . 37.0 ttt85 -104.32 110.36 22.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.744 176.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 63.3 m-85 71.36 151.77 0.14 Allowed Pre-proline 0 N--CA 1.47 0.537 0 O-C-N 124.054 0.846 . . . . 0.0 111.6 -177.131 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 92' ' ' PHE . 6.6 Cg_exo -74.01 110.72 3.14 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.689 2.259 . . . . 0.0 111.58 176.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -128.93 174.15 9.77 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.787 -177.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.0 m -124.97 123.03 39.0 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.488 ' HB3' HD11 ' A' ' 103' ' ' LEU . 6.2 mp -98.43 143.87 28.4 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.943 -178.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.543 ' HA ' HG12 ' A' ' 38' ' ' VAL . 46.3 t -99.71 113.83 36.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.824 -175.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.451 ' CE2' HD13 ' A' ' 103' ' ' LEU . 87.2 m-85 -108.64 119.93 40.97 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.768 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.652 ' OG1' ' HG3' ' A' ' 104' ' ' ARG . 0.5 OUTLIER -148.37 150.78 34.16 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.886 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.47 ' HB2' ' O ' ' A' ' 99' ' ' THR . 4.6 m-20 69.26 12.81 8.5 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.532 0.52 . . . . 0.0 110.692 -174.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.92 12.48 83.38 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.648 -176.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -132.32 167.42 19.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.05 0.452 . . . . 0.0 111.107 -177.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.488 HD11 ' HB3' ' A' ' 96' ' ' LEU . 45.6 tp -87.68 109.87 20.0 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.711 176.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.652 ' HG3' ' OG1' ' A' ' 99' ' ' THR . 18.5 mmt180 -82.92 -38.02 23.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.733 -178.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.435 ' HA3' HD13 ' A' ' 123' ' ' ILE . . . 172.67 -145.82 8.74 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.278 -178.293 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.436 ' HA ' ' HA ' ' A' ' 96' ' ' LEU . . . -134.62 162.25 32.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.689 0.244 . . . . 0.0 110.885 -177.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.415 HD21 HD21 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -109.24 14.53 23.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.785 0.802 . . . . 0.0 109.126 -178.351 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.2 m -129.1 97.36 4.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.017 -176.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -121.87 -67.29 0.24 Allowed Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 174.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.437 ' O ' ' HB2' ' A' ' 111' ' ' HIS . 10.5 tt -143.84 97.08 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 173.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.437 ' HB2' ' O ' ' A' ' 110' ' ' ILE . 91.8 m-70 71.71 139.41 0.06 OUTLIER Pre-proline 0 N--CA 1.47 0.571 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.405 -172.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.83 -43.66 55.1 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.902 2.401 . . . . 0.0 112.81 -177.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -116.62 103.3 10.24 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.005 -178.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -176.83 -59.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.361 175.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.469 ' O ' HD23 ' A' ' 119' ' ' LEU . 17.4 mm-40 -74.38 -6.51 48.57 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.259 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.654 ' HA ' ' HB2' ' A' ' 119' ' ' LEU . 17.9 mt -54.77 -32.43 60.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.773 0.321 . . . . 0.0 111.047 175.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.2 -35.84 78.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.77 177.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.7 m -87.18 -34.78 18.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.968 0.413 . . . . 0.0 110.172 177.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.654 ' HB2' ' HA ' ' A' ' 116' ' ' LEU . 1.2 mm? -54.66 -49.56 70.31 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.516 177.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.782 ' HA ' HG23 ' A' ' 124' ' ' VAL . 22.0 ptp -66.1 -12.59 56.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.466 -178.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.554 ' HA ' ' CZ ' ' A' ' 121' ' ' ARG . 2.8 tpm_? -99.87 -55.36 2.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.237 0.541 . . . . 0.0 110.744 177.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.7 t -75.5 -52.36 10.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.077 -171.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.511 HD12 HD13 ' A' ' 119' ' ' LEU . 47.0 mt -93.01 -50.34 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -171.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.782 HG23 ' HA ' ' A' ' 120' ' ' MET . 6.0 m -110.7 61.79 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.336 0.588 . . . . 0.0 110.999 -178.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.06 -59.57 4.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.778 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.757 ' HB ' ' HG3' ' A' ' 130' ' ' GLN . 37.4 m 73.61 125.3 0.03 OUTLIER Pre-proline 0 CA--C 1.534 0.332 0 O-C-N 123.658 0.599 . . . . 0.0 111.665 176.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 126' ' ' THR . 21.5 Cg_exo -66.62 151.13 83.4 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 122.997 2.465 . . . . 0.0 113.035 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 62.66 -97.07 0.06 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.281 -0.872 . . . . 0.0 113.115 176.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -101.93 123.15 45.35 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -169.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.757 ' HG3' ' HB ' ' A' ' 126' ' ' THR . 0.0 OUTLIER -176.31 173.99 2.04 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.471 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 74.97 -66.31 0.3 Allowed 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.381 0.672 . . . . 0.0 112.075 172.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 4.4 t -65.51 107.11 1.59 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.344 0.592 . . . . 0.0 111.32 -176.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.756 HG23 ' H ' ' A' ' 134' ' ' GLN . 2.4 m -131.69 -76.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.719 179.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.756 ' H ' HG23 ' A' ' 133' ' ' VAL . 52.3 tt0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.73 0.3 . . . . 0.0 110.318 -177.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.5 mtt . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 120.341 0.115 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 60.5 65.1 1.09 Allowed 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.804 0.69 . . . . 0.0 112.537 172.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -145.22 83.66 1.68 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 170.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -127.56 92.27 3.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.221 -173.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.3 t -79.82 146.07 63.48 Favored Pre-proline 0 C--N 1.319 -0.733 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 175.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.46 ' HG2' HG22 ' A' ' 51' ' ' VAL . 31.7 Cg_exo -60.45 81.68 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.989 2.459 . . . . 0.0 112.566 179.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.462 ' HB3' ' H ' ' A' ' 8' ' ' SER . 33.8 m-85 -159.75 -153.64 0.36 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.468 -1.242 . . . . 0.0 108.262 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.462 ' H ' ' HB3' ' A' ' 7' ' ' PHE . 21.4 m -61.3 -14.54 27.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.687 0.279 . . . . 0.0 111.595 178.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.48 -29.73 69.91 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-O 121.034 0.445 . . . . 0.0 110.529 174.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -73.65 -41.21 63.03 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 177.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 45.3 t-105 -64.17 -31.19 72.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.173 176.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -56.74 -31.11 64.23 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.091 0.472 . . . . 0.0 110.99 178.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 13' ' ' ARG . 12.1 mmt85 -62.08 -28.25 69.48 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.938 179.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.631 HD22 ' HB2' ' A' ' 19' ' ' TRP . 37.5 mt -73.65 -29.77 62.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.449 0.642 . . . . 0.0 110.573 -178.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 mp -73.68 -26.36 60.69 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.819 175.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.4 m -64.81 -50.82 65.21 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.924 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -178.19 -32.56 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 178.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.611 ' O ' ' HA ' ' A' ' 14' ' ' LEU . . . -71.2 132.1 20.83 Favored Glycine 0 C--O 1.226 -0.382 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.51 -176.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.631 ' HB2' HD22 ' A' ' 14' ' ' LEU . 29.7 m0 62.46 -172.18 0.16 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.373 0.606 . . . . 0.0 111.645 -179.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.422 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 27.9 mm-40 -149.16 128.19 6.19 Favored Pre-proline 0 N--CA 1.444 -0.748 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.58 175.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 20' ' ' GLN . 1.7 Cg_endo -81.48 108.12 1.9 Allowed 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 122.718 2.279 . . . . 0.0 111.586 177.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.497 HG13 ' HB1' ' A' ' 73' ' ' ALA . 5.4 m -92.49 -173.05 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.415 -177.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.556 ' HB3' HG22 ' A' ' 26' ' ' THR . 2.5 tm-20 -133.62 179.54 6.16 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.819 -172.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.6 -32.24 12.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.327 -176.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.55 ' H ' ' CD ' ' A' ' 23' ' ' GLU . 3.8 m -90.76 -37.7 13.5 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.828 0.347 . . . . 0.0 111.071 -179.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.556 HG22 ' HB3' ' A' ' 23' ' ' GLU . 1.1 t -72.78 -7.46 50.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.752 0.31 . . . . 0.0 111.509 -177.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -58.91 -34.68 53.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.391 -175.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -59.53 -53.91 52.68 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.045 0.45 . . . . 0.0 110.7 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -70.8 -38.19 73.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.911 -175.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.609 ' O ' HG22 ' A' ' 34' ' ' VAL . 26.9 t90 -61.23 -52.31 65.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.553 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.0 mm -63.08 -42.42 96.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.9 0.381 . . . . 0.0 110.735 -178.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.494 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -65.72 -32.14 73.52 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.16 179.733 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -75.92 -47.05 26.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.002 0.43 . . . . 0.0 110.892 -175.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 30' ' ' TRP . 25.3 m -85.4 -52.1 12.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.396 -178.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.408 ' N ' HG23 ' A' ' 34' ' ' VAL . . . 91.95 -26.02 14.52 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.168 -0.539 . . . . 0.0 111.858 -177.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -128.91 139.32 52.18 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 122.747 0.419 . . . . 0.0 110.073 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 71' ' ' GLN . . . 157.21 171.1 22.86 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.487 178.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.562 HG12 ' HA ' ' A' ' 97' ' ' VAL . 28.8 m -134.0 136.05 54.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.933 0.397 . . . . 0.0 111.046 179.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.485 HD13 ' CE1' ' A' ' 98' ' ' PHE . 2.3 mp -107.0 124.39 62.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.661 175.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.666 ' HG ' HG12 ' A' ' 58' ' ' ILE . 0.8 OUTLIER -82.94 121.43 26.97 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 175.408 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.3 mp -88.65 116.44 26.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.36 177.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.7 m 64.67 -169.27 0.2 Allowed 'General case' 0 C--N 1.333 -0.148 0 O-C-N 123.809 0.693 . . . . 0.0 111.836 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.0 m -143.57 25.78 1.64 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.3 -0.864 . . . . 0.0 108.81 174.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -65.13 142.51 98.61 Favored Pre-proline 0 C--O 1.235 0.304 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.721 -177.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -73.11 174.78 11.46 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.546 2.164 . . . . 0.0 112.009 178.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.454 ' HA ' ' HD3' ' A' ' 46' ' ' ARG . 21.4 mmt180 -66.82 -29.96 70.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.919 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.552 ' HG2' ' OG1' ' A' ' 48' ' ' THR . 0.0 OUTLIER -178.04 -41.83 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 O-C-N 123.534 0.521 . . . . 0.0 110.466 171.858 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.552 ' OG1' ' HG2' ' A' ' 47' ' ' ARG . 1.6 m -119.24 111.31 36.88 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.164 -176.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -91.61 110.11 0.3 Allowed 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 122.62 2.213 . . . . 0.0 111.966 174.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.05 -71.66 0.51 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 176.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.46 HG22 ' HG2' ' A' ' 6' ' ' PRO . 7.7 p -72.73 -29.27 29.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.334 178.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.6 m 67.41 171.26 0.26 Allowed 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.447 175.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.5 t0 42.08 69.1 0.39 Allowed 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.571 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -149.97 98.33 3.36 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.535 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -85.79 13.56 2.71 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 123.306 2.671 . . . . 0.0 112.214 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.8 m -73.76 107.33 4.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.542 0.687 . . . . 0.0 111.14 -178.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 46.3 ttm 173.44 -46.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.735 -1.12 . . . . 0.0 109.133 -177.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.666 HG12 ' HG ' ' A' ' 40' ' ' LEU . 2.8 mp -73.04 -25.39 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.387 -179.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.56 -45.59 82.74 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 174.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 1.7 mp0 -63.78 -38.0 89.45 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.322 174.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.55 ' HB2' ' HA ' ' A' ' 58' ' ' ILE . 0.1 OUTLIER -53.71 -53.49 51.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.125 176.212 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.626 HD22 ' HB ' ' A' ' 72' ' ' VAL . 14.3 tp -69.64 -37.26 76.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.899 -174.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.411 ' HG2' ' HA ' ' A' ' 60' ' ' GLU . 11.5 ptm180 -74.37 -2.31 24.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.874 0.369 . . . . 0.0 111.636 -173.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 5.9 mm-40 -86.11 -3.33 58.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.444 175.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.8 96.17 19.22 Favored Pre-proline 0 C--N 1.334 -0.101 0 CA-C-O 120.896 0.379 . . . . 0.0 111.086 177.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 94.9 Cg_endo -93.29 16.32 1.28 Allowed 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 123.063 2.509 . . . . 0.0 111.904 176.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.64 -64.68 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.74 -174.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.471 ' HD1' ' H ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -132.21 152.95 51.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.112 0.482 . . . . 0.0 111.686 -175.356 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -94.24 129.14 40.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.34 -175.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -149.04 179.02 8.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.564 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.413 ' O ' ' HA2' ' A' ' 37' ' ' GLY . 2.1 mp0 -94.42 148.09 22.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.102 0.477 . . . . 0.0 111.753 -176.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.626 ' HB ' HD22 ' A' ' 62' ' ' LEU . 6.8 p -123.06 133.37 69.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.672 175.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.497 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -143.07 157.74 44.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.945 0.403 . . . . 0.0 111.573 -177.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.508 HG11 ' CE3' ' A' ' 19' ' ' TRP . 24.1 m -133.49 161.68 40.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.946 -178.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.91 157.38 46.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.063 0.458 . . . . 0.0 111.759 -177.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.402 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 17.3 t70 -67.88 151.89 46.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.205 179.155 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.5 tt -57.71 -46.88 83.78 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.404 -177.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.68 -36.61 82.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.176 0.512 . . . . 0.0 110.362 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.473 ' OE1' ' HG2' ' A' ' 23' ' ' GLU . 1.8 tt0 -67.77 -39.08 84.14 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.148 -179.136 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.489 ' HA ' ' HB ' ' A' ' 83' ' ' ILE . 39.5 t -59.06 -29.6 67.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.572 179.048 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -61.06 -42.91 99.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.24 0.543 . . . . 0.0 109.659 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.25 -28.68 53.71 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.693 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.489 ' HB ' ' HA ' ' A' ' 80' ' ' SER . 66.7 mt -66.84 -51.12 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.57 177.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.09 -28.91 69.72 Favored Glycine 0 C--O 1.226 -0.367 0 C-N-CA 120.743 -0.742 . . . . 0.0 111.573 176.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -69.79 -38.99 76.85 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.613 0.72 . . . . 0.0 110.35 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -53.64 -57.59 10.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.507 -1.224 . . . . 0.0 112.219 -178.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.438 ' O ' ' HB3' ' A' ' 88' ' ' ASN . 0.5 OUTLIER -91.86 -15.72 27.76 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.208 -175.696 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.438 ' HB3' ' O ' ' A' ' 87' ' ' PHE . 52.8 t30 80.43 68.49 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 O-C-N 124.743 1.277 . . . . 0.0 109.737 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 23.5 t -129.45 152.36 37.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.032 -178.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -71.3 150.7 44.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.054 178.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -90.37 92.75 9.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.954 0.407 . . . . 0.0 111.859 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -140.36 152.49 66.9 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 173.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -53.98 103.23 0.09 OUTLIER 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.624 2.216 . . . . 0.0 111.734 177.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -147.99 159.47 43.85 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.894 -175.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 27.5 m -119.47 124.19 45.87 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.679 176.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.444 ' HB3' HD11 ' A' ' 103' ' ' LEU . 64.9 mt -92.03 124.86 36.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.009 0.433 . . . . 0.0 110.007 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.562 ' HA ' HG12 ' A' ' 38' ' ' VAL . 64.3 t -96.21 113.05 29.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.459 -178.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.485 ' CE1' HD13 ' A' ' 39' ' ' ILE . 84.8 m-85 -105.05 114.46 28.67 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.879 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.2 m -142.47 149.72 39.59 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 177.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.7 t70 69.95 9.64 7.17 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.792 0.806 . . . . 0.0 109.748 -176.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.23 0.76 89.44 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.568 -173.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -110.51 149.59 30.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.898 0.38 . . . . 0.0 111.184 -177.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.444 HD11 ' HB3' ' A' ' 96' ' ' LEU . 44.1 tp -72.24 97.46 1.99 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 169.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.56 ' HG3' HD13 ' A' ' 123' ' ' ILE . 22.6 tpp85 -97.33 -33.23 11.51 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.576 -168.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -133.65 147.86 19.19 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.078 -1.058 . . . . 0.0 112.992 -177.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.57 99.22 3.44 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 175.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -115.62 139.16 50.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.988 0.423 . . . . 0.0 111.483 -173.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.7 m -118.84 16.07 13.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.404 177.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -69.04 167.3 46.33 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 121.113 -0.565 . . . . 0.0 112.736 -177.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.449 ' N ' HD12 ' A' ' 110' ' ' ILE . 4.2 mp -94.66 -75.07 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 110.165 -179.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.664 ' HB3' ' HD3' ' A' ' 112' ' ' PRO . 2.6 t-160 -148.4 -49.68 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 177.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.664 ' HD3' ' HB3' ' A' ' 111' ' ' HIS . 4.4 Cg_exo -77.96 58.86 6.7 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.145 1.897 . . . . 0.0 110.555 168.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.696 ' CD1' ' HB2' ' A' ' 116' ' ' LEU . 3.3 p90 -71.03 -36.97 72.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.335 -173.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 68.55 -54.3 0.54 Allowed 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.755 0.659 . . . . 0.0 112.46 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.413 ' O ' ' HG ' ' A' ' 119' ' ' LEU . 46.3 mt-10 -52.98 -42.07 65.2 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -174.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.696 ' HB2' ' CD1' ' A' ' 113' ' ' TRP . 14.7 mt -56.93 -32.89 66.43 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -177.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.573 ' O ' ' HB2' ' A' ' 121' ' ' ARG . 3.9 mm? -60.21 -36.29 77.33 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.814 0.34 . . . . 0.0 110.639 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 19.8 m -87.41 -37.16 17.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.092 0.472 . . . . 0.0 111.015 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 115' ' ' GLU . 86.8 mt -69.24 -50.97 42.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.993 -175.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.516 ' HG3' ' O ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -71.45 -27.29 63.16 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.619 -0.432 . . . . 0.0 109.98 -177.266 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.573 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 26.7 ttt180 -56.36 -43.75 79.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.057 177.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.4 m -76.72 -30.26 56.56 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.756 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.56 HD13 ' HG3' ' A' ' 104' ' ' ARG . 87.1 mt -86.57 -50.21 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -171.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 16.9 m -105.96 68.48 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 122.023 0.916 . . . . 0.0 109.888 -175.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -50.53 -48.77 57.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.069 -1.423 . . . . 0.0 111.734 -178.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.3 m 52.3 84.86 0.2 Allowed Pre-proline 0 CA--C 1.534 0.347 0 O-C-N 123.599 0.562 . . . . 0.0 112.094 176.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.73 44.3 1.52 Allowed 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 122.693 2.262 . . . . 0.0 112.679 -177.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -163.92 152.55 13.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.623 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.56 129.25 56.65 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 174.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -123.37 123.58 41.02 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -171.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.546 ' OE2' HG13 ' A' ' 133' ' ' VAL . 4.9 tp10 70.09 153.86 0.12 Allowed 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 114.323 -1.308 . . . . 0.0 113.715 167.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 9.1 t -163.61 26.82 0.08 Allowed 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.394 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.546 HG13 ' OE2' ' A' ' 131' ' ' GLU . 3.5 m -55.86 -32.7 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -179.317 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.017 0.437 . . . . 0.0 110.331 175.604 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.7 ptm . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 71.4 152.72 0.12 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.24 -173.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -78.87 83.4 5.0 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.977 0.418 . . . . 0.0 110.96 -176.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -80.53 -20.57 43.22 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.47 0.652 . . . . 0.0 109.638 176.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.5 m -125.15 73.52 66.37 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.533 174.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -85.5 43.54 1.23 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.933 2.422 . . . . 0.0 112.748 -173.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -100.91 -22.99 14.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.8 m 58.51 22.62 9.85 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.572 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.66 -27.62 66.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.588 -178.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.682 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 2.8 mm? -52.98 -48.47 67.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.162 -179.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.559 ' HE3' ' HB2' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -59.74 -32.39 70.51 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.814 -174.909 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -62.6 -49.8 73.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.292 0.567 . . . . 0.0 110.708 178.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.469 ' HD3' ' HA ' ' A' ' 13' ' ' ARG . 18.6 mmt180 -75.09 -28.17 60.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.958 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.682 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 77.0 mt -64.48 -37.6 88.12 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 175.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.09 -26.91 67.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.784 174.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.3 m -68.58 -50.3 52.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.364 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -160.87 131.75 5.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.759 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 119.51 -66.42 0.4 Allowed Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.574 -0.822 . . . . 0.0 113.024 173.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.629 ' HB2' ' HB3' ' A' ' 14' ' ' LEU . 14.3 m95 -95.93 123.31 39.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.083 0.468 . . . . 0.0 110.83 -174.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -93.13 122.3 63.69 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.504 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.496 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 51.3 Cg_endo -72.69 102.88 1.47 Allowed 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.326 2.017 . . . . 0.0 111.44 175.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.0 m -87.28 172.36 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.481 -177.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.542 ' HG2' ' HG3' ' A' ' 79' ' ' GLN . 40.3 mt-10 -148.42 162.32 39.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.739 -173.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.64 -26.94 55.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.757 0.313 . . . . 0.0 110.792 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.6 m -66.75 -19.36 65.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.663 -178.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 t -140.37 19.6 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.074 0.464 . . . . 0.0 111.067 -177.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.445 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 13.5 p -66.13 -43.59 92.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.281 -175.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -60.29 -43.64 96.1 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.968 0.413 . . . . 0.0 110.826 -178.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 33' ' ' ARG . 14.9 t70 -63.61 -47.61 80.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.77 -179.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.434 ' O ' HG22 ' A' ' 34' ' ' VAL . 74.8 t90 -59.96 -48.22 82.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.856 -177.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.443 HG23 ' HB3' ' A' ' 98' ' ' PHE . 78.7 mt -58.32 -45.27 89.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.699 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -67.32 -40.02 85.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.582 0.706 . . . . 0.0 110.841 -178.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 1.8 tmt_? -64.13 -44.87 90.88 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.616 -1.175 . . . . 0.0 111.478 -177.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.483 ' HB ' ' NE2' ' A' ' 71' ' ' GLN . 33.7 m -83.31 -38.89 14.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.315 -179.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.9 -39.94 1.83 Allowed Glycine 0 N--CA 1.458 0.161 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.603 178.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -129.01 102.11 6.36 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.726 ' HA2' ' HB2' ' A' ' 70' ' ' TRP . . . -165.96 -166.11 24.43 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.423 -176.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 96' ' ' LEU . 2.4 p -158.04 140.7 5.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.008 0.433 . . . . 0.0 111.599 -178.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.56 HG22 HD12 ' A' ' 41' ' ' LEU . 2.6 mp -109.92 122.43 64.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.344 176.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 tt -91.49 124.01 35.34 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 177.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.56 HD12 HG22 ' A' ' 39' ' ' ILE . 10.3 mp -101.32 112.98 25.64 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -176.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.722 ' HB2' ' HB3' ' A' ' 93' ' ' PRO . 66.5 m 64.68 137.33 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 173.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.7 m -90.19 94.34 9.73 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 168.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.435 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 7.2 t70 -66.53 120.01 67.35 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.512 -174.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 44' ' ' ASP . 12.8 Cg_exo -70.71 -34.3 11.62 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.787 2.325 . . . . 0.0 112.936 -176.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.552 ' HA ' ' HB3' ' A' ' 52' ' ' SER . 5.0 ptp180 178.81 107.72 0.03 OUTLIER 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.451 0.643 . . . . 0.0 110.337 -175.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -104.44 -34.18 8.34 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.651 -179.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.6 t -167.16 156.65 9.6 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 -178.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -67.85 44.36 0.27 Allowed 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.841 2.361 . . . . 0.0 113.034 175.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -152.29 95.12 2.01 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.5 t 59.48 88.07 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-O 121.567 0.698 . . . . 0.0 111.775 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.552 ' HB3' ' HA ' ' A' ' 46' ' ' ARG . 70.0 m -155.8 77.13 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.21 176.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -167.15 -144.11 0.06 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.733 -175.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.488 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 55.0 m-20 -47.26 119.05 5.94 Favored Pre-proline 0 N--CA 1.468 0.433 0 O-C-N 123.795 0.684 . . . . 0.0 112.067 -173.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' A' ' 54' ' ' ASN . 3.7 Cg_exo -77.78 44.28 1.52 Allowed 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 123.604 2.869 . . . . 0.0 113.104 -176.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.2 t -75.83 -14.83 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.176 0.513 . . . . 0.0 110.535 -179.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 52.5 ttm -54.81 -45.56 74.42 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.931 -176.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.8 mp -64.78 -37.32 79.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-O 120.676 0.274 . . . . 0.0 111.111 -176.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.75 -39.12 84.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.861 0.362 . . . . 0.0 111.306 -177.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 10.9 tp10 -73.3 -39.59 65.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.149 0.5 . . . . 0.0 109.916 178.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.38 -35.2 71.64 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.927 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 59.1 tp -57.9 -45.73 86.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.059 -176.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 8.8 ptp180 -76.36 -16.38 59.75 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -173.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.498 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 7.0 tp10 -102.42 2.98 37.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.059 0.457 . . . . 0.0 110.64 -176.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.14 102.97 17.34 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.518 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.498 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 73.0 Cg_endo -91.21 0.95 4.75 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.854 2.37 . . . . 0.0 113.005 -177.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -92.64 -17.95 23.67 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -173.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.7 ' HZ ' HG11 ' A' ' 124' ' ' VAL . 74.5 m-85 -132.83 165.03 25.53 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.737 0.78 . . . . 0.0 112.931 -173.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -132.5 35.7 3.62 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 173.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.726 ' HB2' ' HA2' ' A' ' 37' ' ' GLY . 0.1 OUTLIER -74.02 164.95 25.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.271 -1.331 . . . . 0.0 113.363 -169.871 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.483 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 2.0 mp0 -102.83 125.0 49.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.718 -1.128 . . . . 0.0 109.637 175.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.9 t -87.48 130.8 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.61 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -137.69 160.49 39.06 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.523 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.543 HG22 ' H ' ' A' ' 76' ' ' ASP . 4.4 p -139.4 141.44 35.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.61 31.79 3.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.152 -176.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.543 ' H ' HG22 ' A' ' 74' ' ' VAL . 25.6 t70 56.46 -105.98 0.3 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.668 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.418 HD12 ' C ' ' A' ' 76' ' ' ASP . 6.1 mp -140.52 -51.86 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 110.344 175.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.88 -53.15 61.52 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.453 -176.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.542 ' HG3' ' HG2' ' A' ' 23' ' ' GLU . 82.6 mm-40 -65.88 -25.67 67.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.487 -177.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.6 m -63.43 -37.27 86.66 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.249 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -65.85 -40.17 91.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.86 0.362 . . . . 0.0 110.224 179.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.56 -39.65 91.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.836 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.7 mt -69.1 -42.54 81.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.48 177.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.429 ' HA2' HG23 ' A' ' 89' ' ' VAL . . . -64.04 -28.79 73.33 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.537 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -75.45 -40.88 56.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.95 0.405 . . . . 0.0 110.849 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -45.25 -48.37 12.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.797 -1.092 . . . . 0.0 112.326 -175.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -122.68 12.96 9.98 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.323 -178.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 50.0 t30 58.69 80.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.588 0.708 . . . . 0.0 111.949 175.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.429 HG23 ' HA2' ' A' ' 84' ' ' GLY . 4.0 t -86.39 44.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.954 175.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 62.59 12.02 5.19 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.071 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 62.6 22.84 13.57 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.35 -175.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 53.8 m-85 -112.08 128.87 24.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.759 0.314 . . . . 0.0 110.729 177.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.722 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 17.1 Cg_exo -67.66 125.71 13.67 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.94 2.427 . . . . 0.0 111.536 176.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -154.39 -170.33 3.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.709 -178.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.9 m -111.48 114.81 28.17 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 38' ' ' VAL . 6.1 mp -103.33 127.93 50.55 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.662 0.268 . . . . 0.0 111.246 -176.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.496 HG23 HD23 ' A' ' 107' ' ' LEU . 78.4 t -80.06 127.87 39.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.159 177.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.443 ' HB3' HG23 ' A' ' 31' ' ' ILE . 79.3 m-85 -121.45 97.9 5.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.305 0.574 . . . . 0.0 110.821 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.465 HG21 ' CE1' ' A' ' 68' ' ' PHE . 50.2 p -131.95 169.97 15.55 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 178.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 71.21 5.16 5.35 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.685 0.615 . . . . 0.0 109.945 -177.098 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 63.6 27.85 71.6 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -166.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -134.57 174.17 10.85 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 121.031 0.443 . . . . 0.0 110.729 -173.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 64.6 tp -91.38 108.66 20.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.022 176.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' A' ' 104' ' ' ARG . 3.3 mmp_? -76.08 -61.03 2.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.145 0.498 . . . . 0.0 109.662 176.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 158.34 -179.6 33.91 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.679 -0.692 . . . . 0.0 112.253 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.459 ' HB2' ' HG ' ' A' ' 96' ' ' LEU . . . -101.17 140.96 34.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.667 0.27 . . . . 0.0 110.971 -178.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.496 HD23 HG23 ' A' ' 97' ' ' VAL . 4.0 mm? -115.56 156.9 24.92 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.403 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 30.9 t -136.26 139.32 42.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.745 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -81.22 87.47 1.37 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.116 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 41.8 mm -78.54 -41.98 25.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.104 0.478 . . . . 0.0 110.345 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.413 ' HB3' ' HD2' ' A' ' 112' ' ' PRO . 40.1 m80 -146.5 166.24 17.33 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.422 179.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' A' ' 111' ' ' HIS . 26.5 Cg_endo -64.16 86.52 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 121.988 1.792 . . . . 0.0 110.686 169.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.94 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.0 OUTLIER 70.54 -97.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.116 -173.81 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 49.69 -86.96 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -74.81 -21.64 59.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.884 -176.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.94 HD12 ' HA ' ' A' ' 113' ' ' TRP . 37.0 mt -55.46 -31.71 62.17 Favored 'General case' 0 C--O 1.224 -0.258 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -177.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.559 HD22 ' HD1' ' A' ' 113' ' ' TRP . 3.9 mm? -53.58 -47.77 69.82 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.937 0.398 . . . . 0.0 111.404 179.287 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 25.3 m -75.42 -34.5 61.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.77 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.448 HD12 HD23 ' A' ' 116' ' ' LEU . 96.8 mt -64.32 -46.91 81.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.543 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -47.96 78.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.344 179.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.544 ' O ' ' HD3' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -63.57 -40.75 97.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.893 0.377 . . . . 0.0 110.389 -177.204 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 8.5 t -69.08 -40.96 78.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.959 -177.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.592 HG22 HG13 ' A' ' 124' ' ' VAL . 75.8 mt -77.28 -49.39 22.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.814 0.34 . . . . 0.0 111.255 -178.09 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.7 HG11 ' HZ ' ' A' ' 68' ' ' PHE . 6.3 m -135.04 77.91 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.368 0.604 . . . . 0.0 111.774 -174.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -53.13 -41.5 65.13 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.35 176.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 22.9 m 71.81 98.22 0.04 OUTLIER Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.07 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.3 -18.18 26.83 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.694 2.263 . . . . 0.0 113.125 -176.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 65.39 92.06 0.08 Allowed 'General case' 0 N--CA 1.463 0.183 0 O-C-N 123.716 0.635 . . . . 0.0 110.923 -176.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.431 ' HA ' ' OG1' ' A' ' 132' ' ' THR . . . -86.83 21.16 2.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.687 -176.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -72.08 100.4 2.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 110.784 -178.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 70.81 -9.95 0.78 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.36 178.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.431 ' OG1' ' HA ' ' A' ' 129' ' ' ALA . 15.4 p -76.4 -41.74 46.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.684 0.278 . . . . 0.0 110.342 176.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 13.8 t 49.52 65.51 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-O 121.666 0.746 . . . . 0.0 110.329 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.373 -174.463 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 120.616 0.246 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.96 114.29 18.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.665 176.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 66.95 -168.62 0.2 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.152 178.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -90.54 -45.69 8.78 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.8 m -95.6 107.75 35.38 Favored Pre-proline 0 N--CA 1.447 -0.608 0 CA-C-N 115.326 -0.852 . . . . 0.0 108.981 172.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -60.27 99.41 0.14 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.886 2.39 . . . . 0.0 113.143 -174.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -126.7 109.44 12.07 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.393 175.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.7 m -64.75 120.61 12.79 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.796 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.22 -28.4 69.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.246 0.546 . . . . 0.0 110.047 177.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.622 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 59.3 tp -56.73 -37.55 71.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.718 176.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.564 ' CZ3' ' HG3' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -56.82 -37.15 70.81 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.226 -179.008 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -56.76 -44.16 81.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.05 0.452 . . . . 0.0 110.569 178.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -73.48 -31.74 63.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.918 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 58.9 mt -68.78 -42.9 76.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.716 -178.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.9 mp -62.18 -25.99 68.09 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.905 0.383 . . . . 0.0 110.882 174.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.5 m -72.79 -56.43 5.25 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 178.94 133.53 0.08 Allowed 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.609 175.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 148.23 -97.21 0.18 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.096 178.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.471 ' CH2' ' HB ' ' A' ' 58' ' ' ILE . 38.1 m0 -92.32 116.02 28.6 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 178.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.487 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 0.9 OUTLIER -88.39 131.22 42.93 Favored Pre-proline 0 C--N 1.315 -0.922 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.366 178.843 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.68 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 26.6 Cg_exo -62.44 106.3 0.48 Allowed 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.768 2.312 . . . . 0.0 112.277 -178.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.9 m -87.74 175.26 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.944 179.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.517 ' HG2' ' HB3' ' A' ' 79' ' ' GLN . 0.2 OUTLIER -153.01 178.46 9.68 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.305 -173.882 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.434 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -83.0 -34.97 26.22 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.397 0.618 . . . . 0.0 109.742 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.8 m -63.92 -30.97 72.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.096 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.2 t -121.5 16.66 11.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.673 -175.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.51 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 14.0 p -67.61 -42.22 86.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.739 0.304 . . . . 0.0 110.194 -179.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -58.06 -43.85 87.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.158 0.504 . . . . 0.0 110.665 177.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -64.25 -50.68 67.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.012 -176.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.495 ' O ' HG22 ' A' ' 34' ' ' VAL . 84.6 t90 -61.45 -44.33 97.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.981 -176.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 88.6 mt -59.55 -42.78 89.19 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.084 0 CA-C-O 120.89 0.376 . . . . 0.0 110.69 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -69.79 -36.49 75.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.225 0.536 . . . . 0.0 110.966 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.454 ' HA ' ' HD2' ' A' ' 33' ' ' ARG . 9.8 mmm180 -71.17 -44.73 64.91 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.497 -174.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 30' ' ' TRP . 34.7 m -90.45 -39.75 12.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.582 -178.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.64 -54.27 3.77 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.412 -0.423 . . . . 0.0 112.356 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -122.87 123.6 41.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.862 0.363 . . . . 0.0 110.349 -177.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 172.46 -164.67 37.03 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.279 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.594 HG12 ' HA ' ' A' ' 97' ' ' VAL . 23.1 m -141.25 144.75 25.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.57 0.224 . . . . 0.0 110.805 -179.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.519 HG22 HD12 ' A' ' 41' ' ' LEU . 2.0 mp -104.72 112.33 37.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 173.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.8 tt -87.09 104.52 16.41 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 175.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.519 HD12 HG22 ' A' ' 39' ' ' ILE . 11.0 mp -62.01 128.65 37.18 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.563 0.22 . . . . 0.0 111.321 -176.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.555 ' HA ' HE22 ' A' ' 79' ' ' GLN . 83.8 p 51.56 -165.65 0.05 Allowed 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.617 0.767 . . . . 0.0 111.92 -175.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.1 m -100.22 5.9 44.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.852 0.358 . . . . 0.0 110.715 178.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.426 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 6.9 t70 -92.83 123.51 61.24 Favored Pre-proline 0 C--N 1.328 -0.353 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 178.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.693 ' HG3' ' HG3' ' A' ' 55' ' ' PRO . 21.9 Cg_exo -63.37 -40.52 31.22 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.518 2.145 . . . . 0.0 112.565 -175.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.538 ' HB2' ' O ' ' A' ' 45' ' ' PRO . 41.6 ttp180 161.26 -40.88 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 -173.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 47' ' ' ARG . 25.5 ttt85 -176.83 127.17 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.001 -1.454 . . . . 0.0 108.328 173.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.439 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 3.6 t -63.57 119.89 57.88 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-O 121.286 0.565 . . . . 0.0 110.84 178.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 48' ' ' THR . 10.1 Cg_endo -91.34 8.76 3.11 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 C-N-CA 123.41 2.74 . . . . 0.0 112.119 178.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 70.3 -58.91 0.53 Allowed 'General case' 0 CA--C 1.537 0.461 0 O-C-N 123.886 0.741 . . . . 0.0 111.546 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.6 t -53.68 -46.47 61.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 121.344 0.592 . . . . 0.0 110.642 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.1 t -121.34 74.55 1.11 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 172.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -59.92 -42.85 94.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.464 -178.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.483 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 0.9 OUTLIER -84.37 143.72 42.27 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.285 178.095 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.693 ' HG3' ' HG3' ' A' ' 45' ' ' PRO . 6.1 Cg_exo -74.64 44.59 1.12 Allowed 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.479 2.786 . . . . 0.0 112.837 -178.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.57 -17.83 17.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.069 0.462 . . . . 0.0 110.982 -177.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 72.8 mtm -59.21 -34.29 71.99 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.896 -178.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.471 ' HB ' ' CH2' ' A' ' 19' ' ' TRP . 4.2 mp -68.78 -25.11 29.69 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-O 121.155 0.502 . . . . 0.0 110.65 -177.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.91 -46.77 70.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.566 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -71.78 -30.46 65.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.738 178.153 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 49.9 tp -52.33 -47.56 65.95 Favored 'General case' 0 CA--C 1.518 -0.274 0 O-C-N 123.723 0.64 . . . . 0.0 110.308 176.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.528 ' HA ' ' HE1' ' A' ' 70' ' ' TRP . 4.4 tt -54.76 -49.5 70.7 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.847 -1.07 . . . . 0.0 110.308 177.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -63.12 -50.13 71.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.675 -174.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 12.0 pt-20 -92.39 25.01 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -172.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.462 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 2.5 t80 -84.91 107.8 12.9 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 174.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 65' ' ' PHE . 2.7 Cg_endo -81.3 3.08 8.1 Favored 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 123.266 2.644 . . . . 0.0 113.136 -173.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.446 ' HG3' HG21 ' A' ' 124' ' ' VAL . 15.1 mm100 -87.75 -60.15 2.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.873 -178.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -161.15 -164.85 1.23 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.951 -176.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -116.0 148.71 39.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.739 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.528 ' HE1' ' HA ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -155.12 162.3 41.03 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.691 -177.803 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.405 HE21 ' HB2' ' A' ' 71' ' ' GLN . 1.9 mp0 -101.17 116.2 32.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.971 0.415 . . . . 0.0 110.784 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 90.3 t -91.35 133.73 32.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.902 0.382 . . . . 0.0 110.68 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -131.21 150.72 52.03 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.133 177.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.68 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 7.9 p -118.04 144.48 25.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.515 ' HB1' ' CD ' ' A' ' 79' ' ' GLN . . . -87.12 156.44 19.71 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.688 0.28 . . . . 0.0 111.569 -174.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -64.4 -92.84 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.229 -174.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.658 ' N ' HE21 ' A' ' 79' ' ' GLN . 56.3 tp -152.2 -75.7 0.13 Allowed 'General case' 0 C--O 1.234 0.24 0 O-C-N 121.838 -0.539 . . . . 0.0 111.881 -177.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -61.57 -29.38 69.98 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 123.14 0.576 . . . . 0.0 111.582 -175.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.658 HE21 ' N ' ' A' ' 77' ' ' LEU . 1.9 pp0? -52.25 -27.95 16.85 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -177.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.8 t -50.9 -34.95 30.53 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 123.342 0.401 . . . . 0.0 111.287 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -63.21 -51.6 65.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.631 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.62 -42.69 34.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.846 -175.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.412 HG13 ' HB2' ' A' ' 24' ' ' ALA . 47.8 mt -59.1 -44.39 91.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.833 0.349 . . . . 0.0 111.0 -178.089 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.22 -35.95 92.62 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.401 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -78.75 -35.47 44.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.982 0.42 . . . . 0.0 110.678 -177.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -45.06 -52.57 8.86 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.463 -177.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -120.85 15.16 11.72 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.526 -0.469 . . . . 0.0 111.289 -177.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 63.27 80.72 0.22 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.821 -1.081 . . . . 0.0 112.564 172.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.3 t -103.51 10.16 8.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 170.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.8 ttp180 68.8 18.79 8.56 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 114.695 -1.139 . . . . 0.0 109.627 -174.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? 60.05 78.55 0.27 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.239 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.456 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 79.2 t80 -148.81 134.46 9.65 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.085 -175.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 92' ' ' PHE . 15.5 Cg_exo -68.28 115.98 4.13 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.819 2.346 . . . . 0.0 112.408 178.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -161.58 -177.81 6.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.087 178.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.5 m -110.3 117.49 33.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.556 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.841 HD13 ' HB2' ' A' ' 106' ' ' ALA . 1.0 OUTLIER -91.58 137.14 32.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.794 177.853 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.594 ' HA ' HG12 ' A' ' 38' ' ' VAL . 48.2 t -96.12 122.54 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 -176.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.461 ' CE1' HD13 ' A' ' 39' ' ' ILE . 90.5 m-85 -122.46 104.48 9.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.031 -178.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.49 ' O ' ' HB2' ' A' ' 100' ' ' ASP . 82.6 p -123.9 155.65 37.71 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 172.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.49 ' HB2' ' O ' ' A' ' 99' ' ' THR . 15.2 m-20 69.29 14.21 8.55 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 123.293 0.37 . . . . 0.0 110.464 -177.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 69.74 19.84 75.33 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 -172.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -134.29 147.75 50.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.837 0.351 . . . . 0.0 110.952 -175.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.444 HD11 HD12 ' A' ' 96' ' ' LEU . 54.5 tp -69.56 122.83 19.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.987 0.422 . . . . 0.0 110.372 177.246 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.535 ' HB3' HD12 ' A' ' 123' ' ' ILE . 35.9 mmt180 -103.99 -31.31 9.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.768 -177.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 170.21 -163.91 37.24 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.567 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.841 ' HB2' HD13 ' A' ' 96' ' ' LEU . . . -149.21 162.44 40.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.549 0.174 . . . . 0.0 110.754 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.517 HD13 HD12 ' A' ' 119' ' ' LEU . 4.4 mm? -85.39 94.24 8.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.948 0.404 . . . . 0.0 111.26 179.02 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.7 m -105.35 139.2 40.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.507 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 113.65 171.2 17.58 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.898 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 56.7 mt -124.22 89.85 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.159 0.504 . . . . 0.0 109.728 177.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.656 ' HB3' ' HB3' ' A' ' 114' ' ' ALA . 5.6 m80 -147.95 148.06 28.72 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.271 -178.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -83.01 90.44 1.02 Allowed 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.842 2.362 . . . . 0.0 111.707 176.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 4.5 t-105 74.77 -11.87 1.0 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.311 0.644 . . . . 0.0 111.08 176.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.656 ' HB3' ' HB3' ' A' ' 111' ' ' HIS . . . -73.74 -19.07 60.9 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -176.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.584 ' HG3' ' HB2' ' A' ' 111' ' ' HIS . 0.0 OUTLIER -87.29 -36.57 17.82 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.468 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.442 HD23 HD11 ' A' ' 107' ' ' LEU . 45.7 mt -57.66 -37.16 72.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.863 173.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.64 HD11 HG21 ' A' ' 132' ' ' THR . 0.3 OUTLIER -53.67 -57.22 11.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.831 -178.242 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.9 m -69.42 -39.03 78.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.28 -176.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.517 HD12 HD13 ' A' ' 107' ' ' LEU . 90.9 mt -66.05 -40.14 90.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.718 0.294 . . . . 0.0 110.729 -179.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 55.5 ttp -58.13 -43.01 87.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.35 176.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 -58.9 -45.32 90.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.348 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 39.3 m -74.63 -44.5 50.22 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -177.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.535 HD12 ' HB3' ' A' ' 104' ' ' ARG . 43.4 mm -81.38 -42.97 20.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -171.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.446 HG21 ' HG3' ' A' ' 67' ' ' GLN . 15.7 m -123.41 74.36 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 122.258 1.028 . . . . 0.0 111.016 -175.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -74.02 -5.25 40.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.338 -1.301 . . . . 0.0 110.955 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 22.6 p -59.5 128.95 86.71 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.013 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -82.95 149.31 13.79 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.85 2.367 . . . . 0.0 112.725 178.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -167.18 -70.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.149 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -157.42 123.15 4.68 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 176.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -137.57 110.01 7.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.38 0.61 . . . . 0.0 112.19 -172.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -139.18 99.02 3.65 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 170.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.64 HG21 HD11 ' A' ' 117' ' ' LEU . 4.2 m -90.8 99.94 12.88 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.277 -171.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 45.1 t -78.63 105.89 8.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.989 175.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 . . . . . 0 C--N 1.321 -0.657 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.686 -176.87 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 mmt . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.83 155.55 42.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.317 176.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -175.85 -35.63 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 177.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -116.34 -164.64 0.98 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 173.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.0 t -66.44 132.2 94.26 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 118.0 0.364 . . . . 0.0 110.454 -177.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.85 167.5 19.4 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.128 2.552 . . . . 0.0 113.14 -177.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -103.86 29.48 5.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.442 -177.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.3 m -62.87 -16.93 60.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.659 -0.701 . . . . 0.0 112.183 -175.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.94 -29.11 69.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.964 0.412 . . . . 0.0 111.45 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.5 mt -67.6 -28.33 67.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -177.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 23.4 t-105 -66.93 -28.23 68.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.631 -176.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -55.9 -40.97 73.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.251 0.548 . . . . 0.0 110.765 177.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -66.19 -39.04 89.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.145 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 70.5 mt -69.28 -43.25 74.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.766 -178.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.3 mt -59.82 -33.02 71.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.835 177.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.0 m -70.12 -27.21 64.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.897 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.592 ' NE ' ' HA ' ' A' ' 17' ' ' ARG . 1.8 mmp_? -93.85 -1.14 55.28 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.96 13.53 46.01 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.725 -0.75 . . . . 0.0 113.595 173.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.479 ' CZ3' HG11 ' A' ' 74' ' ' VAL . 14.0 m0 -73.15 123.27 23.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 117.016 0.408 . . . . 0.0 110.68 178.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.461 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 64.3 tt0 -110.26 131.27 22.11 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.661 -177.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.579 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 3.5 Cg_exo -77.47 131.32 11.47 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.994 2.463 . . . . 0.0 111.95 176.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.407 HG21 HG13 ' A' ' 39' ' ' ILE . 10.6 m -121.89 -179.21 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.139 0.495 . . . . 0.0 112.119 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -142.81 175.96 9.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.409 -177.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.644 ' HB2' ' HA ' ' A' ' 83' ' ' ILE . . . -83.94 -21.37 31.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.07 178.193 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 m -79.8 -42.48 24.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.162 0.506 . . . . 0.0 111.022 -177.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.2 t -96.63 5.1 51.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.57 -175.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 24' ' ' ALA . 14.6 p -63.09 -40.06 87.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 120.627 0.251 . . . . 0.0 110.787 -176.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -60.59 -41.83 95.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.286 0.565 . . . . 0.0 110.599 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.533 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 28.0 t70 -77.49 -39.61 45.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.094 -175.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.486 ' O ' HG22 ' A' ' 34' ' ' VAL . 68.5 t90 -64.45 -48.25 76.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.169 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.423 HD11 ' CD1' ' A' ' 39' ' ' ILE . 30.8 mm -60.16 -47.06 93.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.931 -177.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.533 ' HE3' ' HA ' ' A' ' 29' ' ' ASP . 20.6 pttp -67.98 -33.13 74.04 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.308 -176.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.8 ttm-85 -72.96 -47.41 45.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.381 . . . . 0.0 110.956 -177.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.529 ' HB ' ' NE2' ' A' ' 71' ' ' GLN . 23.6 m -81.03 -34.33 13.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.24 -177.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.12 -52.71 4.75 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.025 177.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -123.06 120.29 32.87 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.906 0.384 . . . . 0.0 110.004 -177.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.74 173.68 46.26 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 121.132 -0.556 . . . . 0.0 111.877 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' ' 97' ' ' VAL . 18.1 m -132.91 141.05 45.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 O-C-N 122.728 -0.278 . . . . 0.0 110.867 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.49 HD13 ' CE1' ' A' ' 98' ' ' PHE . 2.2 mp -107.8 114.68 47.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.405 ' HG ' ' OG1' ' A' ' 95' ' ' THR . 0.9 OUTLIER -96.29 118.78 33.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.484 177.843 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.0 mp -79.96 119.12 22.38 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 175.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.2 m 69.31 -172.2 0.18 Allowed 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.732 0.645 . . . . 0.0 111.104 -175.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.8 p -95.29 -66.91 0.88 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.919 0.39 . . . . 0.0 110.574 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -140.95 137.6 17.21 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.07 176.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.12 153.97 75.88 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.931 2.42 . . . . 0.0 112.27 -179.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.0 ptt85 -74.88 67.8 1.69 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.42 0.629 . . . . 0.0 112.115 -176.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -88.65 -49.31 6.95 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 168.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.5 m -129.46 91.09 42.25 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.039 -0.982 . . . . 0.0 108.853 168.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -77.67 15.91 1.18 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 123.09 2.527 . . . . 0.0 113.405 -173.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.411 ' O ' ' HB ' ' A' ' 51' ' ' VAL . 40.4 mt-10 -102.37 116.2 32.14 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.911 178.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.411 ' HB ' ' O ' ' A' ' 50' ' ' GLU . 92.5 t 74.54 -69.7 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.085 -175.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.8 t 177.41 135.41 0.07 Allowed 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -80.81 -17.92 49.22 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 70.49 128.45 0.03 OUTLIER Pre-proline 0 N--CA 1.467 0.399 0 CA-C-N 114.636 -1.165 . . . . 0.0 111.729 175.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.462 ' HG3' ' HH2' ' A' ' 19' ' ' TRP . 19.7 Cg_endo -59.16 -31.89 96.2 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.717 2.278 . . . . 0.0 112.311 178.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.5 t 63.54 -74.17 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 C-N-CA 123.543 0.737 . . . . 0.0 112.645 177.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.469 ' SD ' HD11 ' A' ' 107' ' ' LEU . 46.2 ttm -63.85 -43.97 94.54 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -170.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.423 ' H ' HD12 ' A' ' 58' ' ' ILE . 4.4 mp -56.19 -49.69 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-O 120.654 0.264 . . . . 0.0 111.376 -177.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.38 -42.86 95.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.23 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -69.06 -43.11 75.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.891 -177.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.412 HD13 HD13 ' A' ' 116' ' ' LEU . 16.5 tp -64.1 -40.62 96.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.048 -177.314 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 68.5 tp -48.43 -39.04 21.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.811 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.414 ' H ' ' HG3' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -106.37 20.77 18.48 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.602 -176.124 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -128.57 -19.71 3.72 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.4 112.51 15.1 Favored Pre-proline 0 N--CA 1.464 0.247 0 CA-C-O 120.794 0.33 . . . . 0.0 111.504 -176.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -96.34 13.51 1.06 Allowed 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 123.447 2.765 . . . . 0.0 112.849 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.411 HE22 HG21 ' A' ' 126' ' ' THR . 1.8 mm-40 -92.21 -58.86 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.175 -177.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -155.49 169.37 24.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.955 -175.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -99.41 118.96 37.19 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 177.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -120.09 157.09 29.69 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.929 0.395 . . . . 0.0 110.69 177.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.529 ' NE2' ' HB ' ' A' ' 34' ' ' VAL . 2.1 mp0 -91.6 129.08 37.64 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.478 -178.057 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 91.9 t -88.87 116.55 30.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.23 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -123.59 133.71 53.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.441 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.579 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 10.4 m -129.49 156.49 41.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 -178.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.459 ' HB1' ' HB3' ' A' ' 79' ' ' GLN . . . -120.6 153.87 36.21 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -173.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -66.25 162.63 19.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.834 174.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.9 tt -56.25 -40.28 73.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.973 0.416 . . . . 0.0 110.48 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -68.68 -43.6 75.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.794 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.459 ' HB3' ' HB1' ' A' ' 75' ' ' ALA . 1.6 mp0 -62.95 -30.19 71.38 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.264 178.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.7 m -55.47 -48.28 74.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.348 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -72.13 -33.56 67.89 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.325 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.47 -44.77 93.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.556 177.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.644 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . 67.8 mt -68.02 -40.77 83.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.246 177.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.17 -39.53 96.02 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.654 175.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -60.49 -39.6 88.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.151 0.5 . . . . 0.0 111.283 177.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.519 ' HB2' ' HB1' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -50.09 -46.37 53.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.585 179.344 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.516 ' CD1' ' HB ' ' A' ' 89' ' ' VAL . 7.6 p90 -109.98 14.0 23.19 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.5 t30 63.25 30.8 15.76 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 122.877 0.471 . . . . 0.0 111.544 172.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.516 ' HB ' ' CD1' ' A' ' 87' ' ' PHE . 98.4 t -134.59 115.9 20.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 122.091 -0.381 . . . . 0.0 110.802 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.9 ttp180 -117.43 29.92 7.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.511 0.672 . . . . 0.0 109.347 177.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -80.09 89.89 5.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.945 -178.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 71.35 155.3 0.15 Allowed Pre-proline 0 N--CA 1.468 0.467 0 O-C-N 123.884 0.74 . . . . 0.0 112.101 176.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -77.73 102.0 1.54 Allowed 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.571 2.181 . . . . 0.0 110.714 171.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -119.43 174.77 6.18 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.271 -175.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.405 ' OG1' ' HG ' ' A' ' 40' ' ' LEU . 12.6 m -117.5 117.06 28.42 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.4 mp -91.93 135.05 34.24 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.079 -178.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.548 ' HA ' HG12 ' A' ' 38' ' ' VAL . 48.9 t -96.79 118.31 42.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.068 -176.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.495 ' CE2' HD13 ' A' ' 103' ' ' LEU . 37.9 m-85 -116.23 118.0 31.59 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.56 178.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.403 ' O ' ' HB3' ' A' ' 100' ' ' ASP . 1.1 p -139.66 151.72 46.17 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 99' ' ' THR . 27.3 t70 72.23 3.7 4.77 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.851 0.834 . . . . 0.0 110.378 -177.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.29 0.83 79.57 Favored Glycine 0 N--CA 1.443 -0.887 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.969 -173.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -120.29 159.97 23.93 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 121.248 0.547 . . . . 0.0 111.704 178.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.495 HD13 ' CE2' ' A' ' 98' ' ' PHE . 52.6 tp -82.01 127.71 33.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.26 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.592 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 1.2 mmp_? -91.35 -41.46 10.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.56 179.005 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 161.0 -172.61 37.31 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.152 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -103.87 137.72 41.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.909 0.385 . . . . 0.0 110.84 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.469 HD11 ' SD ' ' A' ' 57' ' ' MET . 1.3 tm? -92.0 115.19 27.85 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 25.0 m -152.85 163.45 39.73 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.809 ' HA3' ' HG3' ' A' ' 115' ' ' GLU . . . -179.57 175.73 47.14 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.011 179.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 40.7 pt -101.64 -8.37 9.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.191 0.519 . . . . 0.0 110.74 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -110.97 143.02 27.43 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.826 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.19 -32.93 97.97 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.71 2.274 . . . . 0.0 112.196 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 16.2 t-105 -161.57 107.0 1.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.286 177.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 179.9 -34.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.279 0.561 . . . . 0.0 110.069 178.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.809 ' HG3' ' HA3' ' A' ' 109' ' ' GLY . 1.5 mm-40 -59.87 -30.67 69.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.247 -173.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.412 HD13 HD13 ' A' ' 61' ' ' LEU . 73.2 mt -57.4 -35.52 70.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.371 -176.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.23 -36.05 76.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.74 0.305 . . . . 0.0 111.49 -173.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.3 m -87.3 -40.97 14.02 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.791 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.557 ' O ' HG12 ' A' ' 123' ' ' ILE . 95.6 mt -67.62 -49.52 62.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 112.014 -175.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 62.8 mtm -58.35 -35.49 72.01 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 111.449 0.166 . . . . 0.0 111.449 -174.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -56.1 -53.9 51.5 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.902 0.382 . . . . 0.0 111.705 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.3 t -70.62 -30.34 66.97 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.117 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.557 HG12 ' O ' ' A' ' 119' ' ' LEU . 39.6 mm -70.04 -48.87 60.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.475 -178.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.552 HG13 HG22 ' A' ' 123' ' ' ILE . 5.3 m -133.11 75.66 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.392 0.615 . . . . 0.0 111.551 -177.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.0 -45.39 90.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.501 175.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.411 HG21 HE22 ' A' ' 67' ' ' GLN . 3.8 m 59.77 97.62 0.04 OUTLIER Pre-proline 0 C--O 1.235 0.334 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.552 173.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -65.29 134.85 40.65 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.505 2.137 . . . . 0.0 111.532 176.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 66.93 25.13 9.48 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.888 -0.597 . . . . 0.0 112.062 177.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.4 155.39 31.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.283 176.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -80.51 132.89 35.75 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 178.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.33 142.8 27.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.071 0.462 . . . . 0.0 111.373 -178.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 34.3 m -155.44 91.36 1.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.735 177.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 16.1 m -131.54 132.78 62.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.109 0.48 . . . . 0.0 111.513 -177.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.833 175.015 . . . . . . . . 0 0 . 1 stop_ save_