data_2l55_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 2l55 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.424 ' HD2' ' O ' ' A' ' 60' ' ' LEU . 33.5 Cg_endo . . . . . 0 C--O 1.234 0.324 0 CA-C-O 120.961 0.317 . . . . 1.39 112.485 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -96.28 133.13 41.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.924 -0.58 . . . . 1.13 110.007 -178.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -127.14 156.9 41.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.465 -0.334 . . . . 0.64 110.133 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.407 ' O ' HG22 ' A' ' 25' ' ' ILE . 20.4 tpt180 -89.17 141.12 28.8 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.917 -0.401 . . . . 2.93 109.917 178.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -148.21 126.91 12.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.252 0.548 . . . . 1.12 111.199 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.476 ' HB ' HE22 ' A' ' 74' ' ' GLN . 17.6 m -111.94 150.74 14.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.92 -0.582 . . . . 1.05 110.075 174.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.679 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 176.72 -173.69 46.48 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.187 -1.006 . . . . 0.28 112.763 178.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.4 ttp85 -111.22 132.49 54.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.835 0.35 . . . . 3.71 110.073 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.478 HD11 ' CG2' ' A' ' 54' ' ' VAL . 39.8 mm -66.56 124.76 22.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.028 -0.533 . . . . 1.06 110.335 -177.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -89.93 -48.76 7.01 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.956 -0.566 . . . . 1.15 109.601 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.419 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 37.6 m -160.52 149.31 16.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.848 -0.614 . . . . 1.05 110.097 178.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.584 HD11 ' HA ' ' A' ' 49' ' ' LYS . 34.6 mt -102.82 142.11 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.88 0.372 . . . . 1.42 110.784 177.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.525 ' H ' ' HB3' ' A' ' 18' ' ' LEU . . . -121.98 -174.07 14.55 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.773 -0.649 . . . . 1.06 112.297 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.705 ' HG3' ' HG3' ' A' ' 16' ' ' ARG . 8.9 pt-20 -70.96 -44.1 66.73 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 122.438 0.295 . . . . 2.55 111.715 -176.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.705 ' HG3' ' HG3' ' A' ' 15' ' ' GLU . 3.9 ppt_? -143.0 8.5 1.67 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.381 0.61 . . . . 4.52 110.897 178.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.47 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 17.4 p -156.03 147.73 22.94 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.378 -0.828 . . . . 1.27 108.784 174.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.634 HD22 ' HG ' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -147.01 146.5 30.07 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 116.195 -0.457 . . . . 1.62 111.1 -175.727 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.692 HG23 HG21 ' A' ' 34' ' ' THR . 15.9 mt -91.56 126.84 44.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.687 -0.688 . . . . 1.26 110.181 -176.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.2 mt -125.37 126.19 70.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.727 -0.669 . . . . 1.07 110.167 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.79 89.26 2.86 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.052 -0.722 . . . . 1.1 109.052 171.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.679 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 28.3 p80 -87.61 153.25 21.54 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.755 -0.657 . . . . 0.38 110.685 -178.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.405 ' O ' HG13 ' A' ' 25' ' ' ILE . 48.3 mt-10 -71.25 -170.01 0.44 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.48 -0.782 . . . . 3.05 109.969 175.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.409 ' O ' ' HB ' ' A' ' 25' ' ' ILE . . . -57.91 -36.26 72.2 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.842 0.682 . . . . 1.5 112.842 -172.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.409 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 48.2 mt 69.13 89.6 0.09 OUTLIER Pre-proline 0 C--N 1.319 -0.742 0 CA-C-O 121.144 0.497 . . . . 1.26 110.744 -177.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -70.87 -5.12 16.18 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 123.061 2.507 . . . . 1.29 112.165 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.4 m -87.82 -18.14 29.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.167 -0.47 . . . . 1.43 111.124 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.96 -6.06 8.46 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.935 0.346 . . . . 1.34 111.935 -176.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 58.79 45.31 15.73 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.764 0.792 . . . . 2.21 109.906 -177.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 29.7 m0 -105.74 175.62 5.44 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.689 -1.141 . . . . 1.12 110.488 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.415 ' O ' ' HG2' ' A' ' 33' ' ' MET . . . -106.77 163.57 13.39 Favored Glycine 0 N--CA 1.44 -1.095 0 N-CA-C 110.889 -0.884 . . . . 1.67 110.889 171.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.07 123.31 20.73 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.702 0.287 . . . . 1.16 110.285 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.415 ' HG2' ' O ' ' A' ' 31' ' ' GLY . 2.6 ptt? -164.54 153.83 13.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.193 0.52 . . . . 1.47 111.58 -175.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.692 HG21 HG23 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -78.38 106.94 10.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.012 -0.995 . . . . 1.15 110.101 179.731 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 37.8 ttm -129.92 147.83 51.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.493 -0.321 . . . . 2.01 111.616 -176.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.518 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 40.4 tt0 -86.62 136.3 33.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.828 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -116.88 139.72 50.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.079 -0.51 . . . . 0.43 110.079 176.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.7 133.43 34.02 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.458 -0.337 . . . . 1.12 110.45 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.409 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . . . -93.22 149.04 36.76 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.432 -0.349 . . . . 1.22 111.013 -178.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 39' ' ' ALA . 17.6 Cg_exo -67.01 159.55 51.46 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.735 2.29 . . . . 1.49 111.529 174.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -62.67 -4.62 5.97 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 122.954 2.436 . . . . 2.4 113.189 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.89 -15.48 51.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.882 0.373 . . . . 1.64 111.066 178.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.39 179.77 45.13 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.833 -0.699 . . . . 1.0 112.457 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.634 ' HG ' HD22 ' A' ' 18' ' ' LEU . 2.6 mm? -103.1 150.79 38.2 Favored Pre-proline 0 C--N 1.318 -0.761 0 CA-C-O 120.994 0.426 . . . . 1.53 111.074 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 5.1 Cg_exo -80.1 -163.53 0.23 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 123.597 2.865 . . . . 0.92 111.884 171.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.607 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 0.8 OUTLIER -117.06 170.27 8.78 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.212 -0.904 . . . . 2.23 110.014 177.68 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.15 13.38 74.37 Favored Glycine 0 N--CA 1.454 -0.143 0 C-N-CA 121.075 -0.583 . . . . 0.67 111.65 -177.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.674 ' HB3' HG13 ' A' ' 54' ' ' VAL . 0.9 OUTLIER -140.95 42.81 1.82 Allowed 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 121.21 0.529 . . . . 1.65 110.526 -178.155 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.584 ' HA ' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -96.52 172.02 8.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.821 -0.627 . . . . 3.53 110.283 -176.678 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.419 ' HB1' ' HA ' ' A' ' 12' ' ' SER . . . -50.84 106.51 0.13 Allowed 'General case' 0 C--O 1.231 0.126 0 CA-C-O 121.02 0.438 . . . . 1.1 110.957 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.75 -15.23 7.52 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.584 -0.735 . . . . 0.38 112.114 -177.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -89.93 157.65 17.77 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 121.294 0.569 . . . . 0.53 111.105 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -117.57 122.63 44.16 Favored 'General case' 0 N--CA 1.438 -1.028 0 N-CA-C 108.337 -0.986 . . . . 3.72 108.337 172.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.674 HG13 ' HB3' ' A' ' 48' ' ' LEU . 8.4 m -131.27 162.25 39.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.131 0.491 . . . . 1.11 111.585 -174.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -114.38 117.62 31.55 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.572 -0.74 . . . . 1.03 109.706 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.535 ' HB2' HD13 ' A' ' 68' ' ' LEU . 7.7 p90 -127.97 168.0 15.89 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.704 0.764 . . . . 0.43 112.496 -173.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.6 p -126.04 140.43 52.6 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.719 -1.128 . . . . 1.47 109.0 172.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -137.54 154.85 49.76 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.694 0.283 . . . . 0.5 110.319 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.484 ' HG3' ' CG2' ' A' ' 69' ' ' VAL . 31.8 mtm180 -104.18 128.01 51.83 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 110.01 -0.367 . . . . 3.57 110.01 178.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.456 HD21 ' O ' ' A' ' 65' ' ' MET . 7.0 mt -96.89 108.04 20.66 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.934 -0.576 . . . . 1.59 110.065 175.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.407 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 6.3 m-20 -80.52 161.54 64.07 Favored Pre-proline 0 C--N 1.311 -1.093 0 N-CA-C 108.519 -0.919 . . . . 1.87 108.519 176.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.407 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 22.2 Cg_exo -63.42 -17.94 62.32 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.919 2.413 . . . . 1.81 112.903 -167.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -77.07 -17.92 58.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.146 -0.479 . . . . 2.88 110.339 -178.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.77 30.45 6.8 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 110.904 -0.879 . . . . 1.2 110.904 -174.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.456 ' O ' HD21 ' A' ' 60' ' ' LEU . 24.5 mmt -95.62 135.61 37.07 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 115.549 -0.325 . . . . 3.17 110.209 -179.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -109.05 98.25 7.74 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.648 -0.706 . . . . 1.18 109.464 -176.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.7 m -107.46 116.85 32.67 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.523 -0.762 . . . . 1.4 110.627 -174.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.535 HD13 ' HB2' ' A' ' 56' ' ' PHE . 29.1 tp -70.53 140.95 51.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.799 -0.637 . . . . 1.82 110.011 -178.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.484 ' CG2' ' HG3' ' A' ' 59' ' ' ARG . 46.4 t -111.99 -64.09 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.391 0.615 . . . . 1.61 110.029 -178.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.48 HG22 HG11 ' A' ' 69' ' ' VAL . 26.7 p -142.8 138.48 30.42 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.35 -0.841 . . . . 1.12 110.124 -176.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.514 ' HB ' ' HB3' ' A' ' 56' ' ' PHE . 7.2 p -133.96 133.05 56.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 121.053 0.454 . . . . 1.09 110.159 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -126.37 143.61 46.58 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.07 -0.513 . . . . 1.07 110.261 -178.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -48.59 124.7 11.29 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 123.247 2.631 . . . . 1.22 113.585 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.535 ' HG2' ' CA ' ' A' ' 54' ' ' VAL . 2.4 pt20 -117.35 176.21 5.26 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 107.18 -1.415 . . . . 1.45 107.18 168.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.307 -1.246 0 CA-C-O 121.566 0.698 . . . . 2.35 110.347 177.533 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo . . . . . 0 N--CA 1.461 -0.439 0 CA-C-O 121.288 0.453 . . . . 1.39 112.426 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -103.89 111.03 23.39 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.498 -0.774 . . . . 1.13 109.691 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.452 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 58.3 m-70 -100.41 143.33 30.72 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.698 -0.482 . . . . 0.64 109.698 -175.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -91.68 147.34 23.07 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.018 -0.364 . . . . 2.93 110.018 177.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.41 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . . . -148.98 140.01 22.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.04 0.448 . . . . 1.12 111.101 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.6 m -116.1 152.2 17.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.945 -0.571 . . . . 1.05 109.871 173.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.776 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 172.98 -171.95 44.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.234 -0.984 . . . . 0.28 112.522 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.65 ' HG3' ' HG3' ' A' ' 53' ' ' ARG . 46.5 mtm180 -109.63 130.53 55.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.94 0.4 . . . . 3.71 110.392 -178.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.5 ' HB ' ' O ' ' A' ' 49' ' ' LYS . 39.8 mm -65.07 124.62 20.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 115.865 -0.607 . . . . 1.06 110.109 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -83.92 -51.14 7.4 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.31 -0.626 . . . . 1.15 109.31 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.4 m -159.97 163.42 34.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.803 -0.635 . . . . 1.05 110.211 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.819 HG23 HD22 ' A' ' 18' ' ' LEU . 93.1 mt -107.85 139.13 31.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.33 -0.619 . . . . 1.42 109.33 177.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -114.57 -162.57 14.11 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.764 -0.732 . . . . 1.06 112.788 -177.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -82.84 -42.16 18.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.156 0.503 . . . . 2.55 110.325 -178.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -139.15 5.89 2.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.807 -0.633 . . . . 4.52 111.244 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 p -155.45 145.77 21.85 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.903 -0.59 . . . . 1.27 109.757 176.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.819 HD22 HG23 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -120.72 141.83 50.08 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 109.383 -0.599 . . . . 1.62 109.383 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.518 HG21 HG23 ' A' ' 34' ' ' THR . 17.3 mt -91.13 126.77 43.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.33 -0.618 . . . . 1.26 109.33 178.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.8 mt -127.64 118.01 48.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.973 -0.558 . . . . 1.07 110.529 -176.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.705 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -73.18 91.03 1.62 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.052 -0.721 . . . . 1.1 109.052 169.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.776 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 25.7 p80 -88.96 151.07 22.52 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.059 -0.519 . . . . 0.38 111.153 -174.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -69.27 -165.18 0.07 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.011 -0.995 . . . . 3.05 111.401 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.575 ' O ' ' HD3' ' A' ' 26' ' ' PRO . . . -70.94 112.74 7.34 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 114.905 -1.043 . . . . 1.5 109.915 175.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.515 HG22 ' H ' ' A' ' 28' ' ' ALA . 60.6 mt -93.24 102.39 7.25 Favored Pre-proline 0 C--N 1.317 -0.838 0 CA-C-N 115.6 -0.727 . . . . 1.26 110.438 178.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.575 ' HD3' ' O ' ' A' ' 24' ' ' ALA . 2.8 Cg_exo -76.38 -8.67 18.59 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.614 2.209 . . . . 1.29 111.782 179.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.452 ' HB2' ' HB3' ' A' ' 4' ' ' HIS . 1.4 m -83.61 -25.14 31.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.148 -0.478 . . . . 1.43 110.513 178.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.515 ' H ' HG22 ' A' ' 25' ' ' ILE . . . -123.93 0.63 8.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.405 -0.361 . . . . 1.34 111.674 -177.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 64.04 30.39 14.0 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.974 0.416 . . . . 2.21 111.33 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 54.4 m0 -103.2 108.9 20.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.992 0.425 . . . . 1.12 109.891 178.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -89.16 68.87 2.68 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.829 -0.623 . . . . 1.67 113.143 -172.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.418 ' HA ' ' O ' ' A' ' 22' ' ' HIS . . . 70.58 119.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.65 0.738 . . . . 1.16 112.585 174.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.0 ptp -171.77 146.81 2.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.263 -0.88 . . . . 1.47 110.028 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.705 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 5.4 m -82.13 103.6 11.86 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.239 -0.437 . . . . 1.15 109.888 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.463 ' HE2' ' HB3' ' A' ' 35' ' ' MET . 65.2 mtp -116.98 165.08 13.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.935 0.397 . . . . 2.01 111.851 -175.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.405 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 35.7 tt0 -106.34 128.99 54.42 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.287 -0.869 . . . . 1.0 109.983 178.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -114.09 129.6 56.61 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.475 -0.33 . . . . 0.43 110.417 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.47 141.07 37.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.075 -0.511 . . . . 1.12 110.909 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.16 145.36 83.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.178 -0.465 . . . . 1.22 111.652 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.45 170.08 19.31 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.609 2.206 . . . . 1.49 111.217 173.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.57 -16.28 35.38 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 122.829 2.353 . . . . 2.4 113.166 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.1 -11.09 56.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.892 0.377 . . . . 1.64 111.256 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.09 -160.52 29.7 Favored Glycine 0 N--CA 1.435 -1.367 0 N-CA-C 111.229 -0.748 . . . . 1.0 111.229 -177.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.66 ' HG ' HD23 ' A' ' 18' ' ' LEU . 2.7 mm? -101.0 142.37 24.48 Favored Pre-proline 0 C--N 1.314 -0.964 0 CA-C-O 120.836 0.351 . . . . 1.53 110.66 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.506 ' HD2' HD23 ' A' ' 48' ' ' LEU . 52.2 Cg_endo -82.96 -160.96 0.13 Allowed 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 122.935 2.424 . . . . 0.92 111.503 170.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.405 HE21 ' HB2' ' A' ' 46' ' ' GLN . 0.9 OUTLIER -113.05 159.98 18.61 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.729 -0.668 . . . . 2.23 109.343 177.848 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.03 20.87 24.67 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.779 -0.724 . . . . 0.67 111.88 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.832 HD21 HG12 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -131.61 50.09 2.26 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.975 0.361 . . . . 1.65 111.975 -176.273 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.674 ' HA ' HD12 ' A' ' 13' ' ' ILE . 6.9 ptpp? -95.17 160.98 14.3 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.377 -0.529 . . . . 3.53 111.035 -173.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.04 111.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.405 -0.816 . . . . 1.1 111.3 176.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.23 -9.65 28.93 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.886 -0.673 . . . . 0.38 112.848 178.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.535 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 3.5 m-20 -82.76 144.56 30.1 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 117.138 0.469 . . . . 0.53 110.317 176.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.65 ' HG3' ' HG3' ' A' ' 9' ' ' ARG . 12.2 ttt180 -104.28 101.52 11.23 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.173 -1.047 . . . . 3.72 108.173 174.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.475 HG23 HD12 ' A' ' 10' ' ' ILE . 18.3 m -106.84 163.14 5.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 120.938 0.399 . . . . 1.11 111.35 -169.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -113.27 111.59 22.29 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.91 -0.774 . . . . 1.03 108.91 174.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.915 ' HB3' HG21 ' A' ' 71' ' ' VAL . 25.3 p90 -129.92 178.64 6.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.311 0.577 . . . . 0.43 112.506 -170.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.466 ' OG ' ' HB ' ' A' ' 69' ' ' VAL . 66.2 p -136.93 151.46 49.07 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.298 -0.865 . . . . 1.47 110.062 179.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.451 ' HA ' HG23 ' A' ' 69' ' ' VAL . 44.5 p90 -145.97 153.6 40.97 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.915 0.388 . . . . 0.5 110.38 177.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.459 ' HG3' ' CG2' ' A' ' 69' ' ' VAL . 83.8 mtt180 -114.8 137.3 52.1 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.685 -0.487 . . . . 3.57 109.685 177.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 65' ' ' MET . 14.1 mt -90.89 111.42 22.83 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.218 -0.66 . . . . 1.59 109.218 174.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -76.45 162.77 69.71 Favored Pre-proline 0 C--N 1.315 -0.904 0 N-CA-C 108.108 -1.071 . . . . 1.87 108.108 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -68.15 1.91 3.11 Favored 'Trans proline' 0 CA--C 1.527 0.133 0 C-N-CA 122.642 2.228 . . . . 1.81 112.885 -171.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.609 ' HB3' ' HG3' ' A' ' 65' ' ' MET . 17.0 t-80 -101.05 -11.66 19.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.836 -0.62 . . . . 2.88 109.507 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.13 31.56 8.42 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.171 -0.922 . . . . 1.2 111.347 -175.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.609 ' HG3' ' HB3' ' A' ' 63' ' ' HIS . 54.2 mtm -96.34 152.51 18.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.655 -0.272 . . . . 3.17 110.267 -177.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.61 97.13 5.83 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 109.073 -0.714 . . . . 1.18 109.073 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.9 m -110.07 125.51 53.04 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.495 -0.775 . . . . 1.4 110.751 -174.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.2 tp -70.43 137.82 50.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.533 -0.758 . . . . 1.82 110.105 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.466 ' HB ' ' OG ' ' A' ' 57' ' ' SER . 22.8 t -102.99 -63.22 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.201 0.524 . . . . 1.61 110.142 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.8 p -139.97 154.26 47.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.613 -0.721 . . . . 1.12 109.673 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.915 HG21 ' HB3' ' A' ' 56' ' ' PHE . 9.8 p -139.45 130.78 33.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.102 -0.703 . . . . 1.09 109.102 173.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -121.42 136.93 26.3 Favored Pre-proline 0 C--N 1.315 -0.915 0 N-CA-C 109.958 -0.386 . . . . 1.07 109.958 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -66.42 103.64 0.68 Allowed 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 122.013 1.809 . . . . 1.22 111.945 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.412 ' HG3' ' N ' ' A' ' 75' ' ' VAL . 8.7 pt20 -105.26 179.35 4.3 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 107.566 -1.272 . . . . 1.45 107.566 172.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.412 ' N ' ' HG3' ' A' ' 74' ' ' GLN . 1.0 OUTLIER . . . . . 0 C--N 1.305 -1.348 0 N-CA-C 108.492 -0.929 . . . . 2.35 108.492 176.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 C--O 1.234 0.324 0 CA-C-O 120.846 0.269 . . . . 1.39 112.332 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 58' ' ' PHE . 36.9 tt0 -77.69 136.5 38.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.171 -0.468 . . . . 1.13 110.297 178.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -126.21 143.41 51.15 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.886 -0.783 . . . . 0.64 108.886 175.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.544 ' HD2' ' HB3' ' A' ' 57' ' ' SER . 16.7 mmm180 -83.43 133.76 34.91 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.92 -0.4 . . . . 2.93 109.92 177.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.464 ' HB2' ' CE2' ' A' ' 56' ' ' PHE . . . -137.51 141.19 41.48 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-O 121.165 0.507 . . . . 1.12 110.603 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.9 m -119.23 149.43 21.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.876 -0.602 . . . . 1.05 109.918 173.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.507 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -179.12 -160.22 24.61 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.578 -0.82 . . . . 0.28 112.284 179.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.2 ttm-85 -128.17 132.18 48.88 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.95 -0.389 . . . . 3.71 109.95 -177.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.56 HD12 HG21 ' A' ' 54' ' ' VAL . 30.4 mm -63.12 131.37 28.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.923 -0.581 . . . . 1.06 110.12 -178.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -98.45 -41.85 7.6 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.582 -0.525 . . . . 1.15 109.582 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -155.95 163.44 39.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.923 -0.581 . . . . 1.05 109.587 174.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 13' ' ' ILE . 14.5 mm -115.7 153.88 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.431 0.634 . . . . 1.42 111.408 -178.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.586 ' HA3' ' O ' ' A' ' 17' ' ' SER . . . -149.04 159.61 28.1 Favored Glycine 0 N--CA 1.437 -1.259 0 N-CA-C 110.217 -1.153 . . . . 1.06 110.217 176.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.427 ' H ' ' CD ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -72.75 -31.36 64.88 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 120.969 0.414 . . . . 2.55 110.754 -175.816 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.63 -4.96 4.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.093 -0.503 . . . . 4.52 111.974 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.586 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 2.3 p -158.73 137.87 11.42 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.289 -0.263 . . . . 1.27 110.289 176.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.625 HD22 ' HG ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -142.36 148.54 38.08 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.256 0.55 . . . . 1.62 111.598 -176.747 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.528 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 38.8 mt -94.29 128.5 45.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.409 -0.814 . . . . 1.26 110.489 -174.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.9 mt -129.1 124.51 60.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.098 0.475 . . . . 1.07 110.96 -178.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.479 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -76.88 92.28 3.63 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.324 -0.621 . . . . 1.1 109.324 171.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.507 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 31.5 p80 -92.51 153.28 19.18 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.988 -0.551 . . . . 0.38 110.313 -177.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -72.08 -166.03 0.21 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.025 -0.534 . . . . 3.05 110.213 174.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.41 -25.76 66.92 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.954 0.353 . . . . 1.5 111.954 -173.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.9 mt 62.7 83.77 0.2 Allowed Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 120.889 0.376 . . . . 1.26 110.779 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.44 -16.58 55.47 Favored 'Trans proline' 0 CA--C 1.526 0.116 0 C-N-CA 122.602 2.201 . . . . 1.29 112.123 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.3 t -75.46 -22.12 57.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.985 -0.552 . . . . 1.43 110.808 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.3 -3.69 8.43 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.474 0.546 . . . . 1.34 112.474 -174.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 60.27 41.61 16.27 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.47 0.653 . . . . 2.21 110.722 -178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -96.05 176.28 6.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.341 -0.845 . . . . 1.12 110.88 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -102.42 166.75 17.37 Favored Glycine 0 N--CA 1.441 -1.013 0 C-N-CA 120.535 -0.84 . . . . 1.67 111.113 170.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.98 111.14 18.57 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.525 -0.546 . . . . 1.16 109.525 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 6.4 ptt? -158.97 159.29 34.69 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.258 0.551 . . . . 1.47 111.277 -172.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.479 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 21.9 m -92.56 104.32 16.64 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.135 -0.939 . . . . 1.15 110.628 -176.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.6 mmm -122.97 163.83 19.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.899 -0.591 . . . . 2.01 111.196 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.528 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 42.6 tt0 -101.22 140.18 35.87 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.701 -0.682 . . . . 1.0 110.934 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -115.54 139.24 50.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.661 -0.7 . . . . 0.43 110.188 -177.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.02 129.23 35.01 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.951 -0.568 . . . . 1.12 109.985 177.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.92 152.64 44.64 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 116.369 -0.378 . . . . 1.22 111.11 -175.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 36.7 Cg_exo -58.05 145.26 92.67 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.613 2.208 . . . . 1.49 111.448 173.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 40' ' ' PRO . 32.6 Cg_exo -60.32 -14.62 30.6 Favored 'Trans proline' 0 CA--C 1.53 0.323 0 C-N-CA 122.871 2.381 . . . . 2.4 112.617 178.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.29 -3.79 59.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.91 0.386 . . . . 1.64 110.959 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.14 177.62 47.47 Favored Glycine 0 N--CA 1.439 -1.12 0 C-N-CA 120.907 -0.663 . . . . 1.0 112.669 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.625 ' HG ' HD22 ' A' ' 18' ' ' LEU . 2.7 mm? -96.46 157.07 36.04 Favored Pre-proline 0 C--N 1.317 -0.843 0 CA-C-N 115.182 -0.509 . . . . 1.53 110.746 -178.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.553 ' HD2' HD21 ' A' ' 48' ' ' LEU . 12.6 Cg_exo -71.46 -163.78 0.14 Allowed 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.673 2.249 . . . . 0.92 111.727 170.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.97 156.26 25.39 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.666 -0.697 . . . . 2.23 110.151 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.86 16.19 42.76 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.672 -0.775 . . . . 0.67 112.383 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.553 HD21 ' HD2' ' A' ' 45' ' ' PRO . 0.9 OUTLIER -138.53 53.42 1.79 Allowed 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 121.116 0.484 . . . . 1.65 111.624 -175.705 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -96.3 170.45 9.23 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.343 -0.39 . . . . 3.53 110.867 -177.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.2 115.58 1.04 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.779 -0.646 . . . . 1.1 111.374 176.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.19 -15.93 25.18 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.164 -0.541 . . . . 0.38 112.822 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -84.85 157.81 20.81 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.15 0.5 . . . . 0.53 111.795 -177.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.0 ttt85 -104.01 127.26 51.56 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.418 -0.81 . . . . 3.72 109.013 172.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.569 HG13 ' HA ' ' A' ' 73' ' ' PRO . 15.7 m -132.36 158.06 43.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.922 0.391 . . . . 1.11 111.361 -177.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -115.36 118.18 32.52 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.917 -0.772 . . . . 1.03 108.917 174.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.734 ' HB3' HG23 ' A' ' 71' ' ' VAL . 27.9 p90 -135.54 174.08 11.0 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.56 0.578 . . . . 0.43 112.56 -169.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.544 ' HB3' ' HD2' ' A' ' 5' ' ' ARG . 90.0 p -135.83 147.3 48.23 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.336 -0.847 . . . . 1.47 109.232 175.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' A' ' 3' ' ' GLU . 38.5 p90 -141.45 150.25 42.03 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.66 -0.416 . . . . 0.5 111.156 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -104.33 147.03 27.97 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.405 -0.816 . . . . 3.57 109.36 174.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 60' ' ' LEU . 19.6 mt -107.33 130.69 54.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.102 0.477 . . . . 1.59 112.023 -175.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.401 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 52.2 m-20 -89.96 166.63 19.66 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.419 -0.809 . . . . 1.87 108.945 172.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.401 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 10.4 Cg_exo -72.2 1.16 6.32 Favored 'Trans proline' 0 N--CA 1.464 -0.234 0 C-N-CA 123.183 2.588 . . . . 1.81 112.485 -177.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -99.25 -0.75 40.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.224 -0.444 . . . . 2.88 110.345 175.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.66 24.86 57.72 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 111.102 -0.799 . . . . 1.2 111.102 -175.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.857 ' HE2' ' HA ' ' A' ' 65' ' ' MET . 9.5 mmt -87.88 146.07 25.75 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 109.687 -0.486 . . . . 3.17 109.687 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.27 106.83 13.19 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.168 0.509 . . . . 1.18 109.984 -173.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.15 118.31 34.48 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.904 -0.589 . . . . 1.4 110.267 -177.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.539 HD11 ' HB2' ' A' ' 56' ' ' PHE . 30.7 tp -72.28 114.22 10.17 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.802 -0.635 . . . . 1.82 110.558 -175.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 18.7 t -85.25 -57.75 4.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.815 -0.63 . . . . 1.61 110.137 -177.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.1 p -140.08 148.38 41.66 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.894 -0.594 . . . . 1.12 109.677 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.734 HG23 ' HB3' ' A' ' 56' ' ' PHE . 13.8 p -146.79 123.54 3.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.315 0.579 . . . . 1.09 110.568 173.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -112.95 131.95 22.55 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 115.782 -0.645 . . . . 1.07 110.095 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.569 ' HA ' HG13 ' A' ' 54' ' ' VAL . 55.5 Cg_exo -52.52 114.61 1.75 Allowed 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.826 2.351 . . . . 1.22 111.95 177.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.552 ' H ' ' HA ' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -88.46 174.47 8.1 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.758 -0.655 . . . . 1.45 110.493 -179.617 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.1 m . . . . . 0 C--N 1.312 -1.036 0 CA-C-N 114.808 -1.087 . . . . 2.35 108.398 175.437 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo . . . . . 0 C--O 1.236 0.412 0 CA-C-O 121.186 0.411 . . . . 1.39 112.875 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -112.38 133.06 54.68 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.313 -0.625 . . . . 1.13 109.313 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.497 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 91.7 m-70 -134.1 159.46 40.77 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.345 -0.242 . . . . 0.64 110.345 -174.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.762 ' HG2' ' HB3' ' A' ' 57' ' ' SER . 50.6 mtt-85 -107.27 158.9 16.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.755 0.312 . . . . 2.93 111.176 178.076 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -158.87 153.73 24.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.611 -0.722 . . . . 1.12 110.168 177.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.464 ' O ' ' HG3' ' A' ' 23' ' ' GLU . 29.1 m -117.75 147.48 21.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.604 -0.517 . . . . 1.05 109.604 173.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -169.19 176.17 43.34 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 119.867 -1.158 . . . . 0.28 113.097 -176.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -110.52 129.89 55.69 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.196 -1.038 . . . . 3.71 108.196 175.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.571 ' HB ' ' O ' ' A' ' 49' ' ' LYS . 41.7 mm -60.3 128.09 20.81 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-O 121.126 0.489 . . . . 1.06 110.814 -176.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -88.68 -43.81 11.04 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.438 -0.801 . . . . 1.15 109.496 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.0 t -172.45 158.02 4.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.903 -0.589 . . . . 1.05 110.49 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.819 HG22 HD22 ' A' ' 18' ' ' LEU . 71.5 mt -107.59 134.0 50.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.986 -0.552 . . . . 1.42 110.123 178.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.8 -159.45 20.58 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.126 -0.559 . . . . 1.06 112.418 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.69 -45.77 42.18 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.442 0.639 . . . . 2.55 109.764 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.01 15.05 1.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.056 -0.975 . . . . 4.52 110.738 -177.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.55 ' HB2' ' HG2' ' A' ' 36' ' ' GLU . 3.2 p -157.27 142.88 17.43 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.712 -0.676 . . . . 1.27 109.693 179.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.819 HD22 HG22 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -125.63 141.13 52.18 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 120.518 -0.473 . . . . 1.62 110.052 -177.749 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.632 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 21.5 mt -88.7 128.58 40.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 108.933 -0.765 . . . . 1.26 108.933 178.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 56.4 mt -126.36 125.52 67.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.592 -0.276 . . . . 1.07 110.693 -177.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.93 91.24 3.01 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.947 -0.76 . . . . 1.1 108.947 172.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -95.98 159.93 14.72 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.75 -0.659 . . . . 0.38 110.583 -177.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 7' ' ' VAL . 1.3 pp20? -65.7 -165.69 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.412 -0.813 . . . . 3.05 111.364 175.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.574 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -61.95 -38.81 89.91 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.334 0.494 . . . . 1.5 112.334 -172.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.415 HD12 ' CE3' ' A' ' 30' ' ' TRP . 18.1 mt 70.72 83.49 0.16 Allowed Pre-proline 0 C--N 1.318 -0.774 0 CA-C-N 115.797 -0.638 . . . . 1.26 110.322 -172.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -70.26 -2.03 9.86 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 123.228 2.618 . . . . 1.29 111.383 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.497 ' CB ' ' HB3' ' A' ' 4' ' ' HIS . 16.4 m -89.6 -21.49 22.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.239 -0.891 . . . . 1.43 110.821 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.27 1.72 9.1 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.064 -0.255 . . . . 1.34 111.658 -176.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 64.7 32.72 11.04 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.366 0.416 . . . . 2.21 111.301 177.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.415 ' CE3' HD12 ' A' ' 25' ' ' ILE . 53.5 m0 -95.16 173.05 7.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.332 -0.395 . . . . 1.12 110.268 177.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -125.02 42.71 1.48 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.451 -0.881 . . . . 1.67 113.381 -175.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.574 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 66.3 114.08 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.012 0.525 . . . . 1.16 112.364 175.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 19.9 ptt? -163.02 158.07 21.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.119 -0.491 . . . . 1.47 110.834 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.97 104.4 8.51 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 115.73 -0.668 . . . . 1.15 110.983 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.401 ' HE1' ' HB2' ' A' ' 35' ' ' MET . 30.2 ttm -120.02 141.99 49.22 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.084 -0.507 . . . . 2.01 111.59 -176.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.632 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 39.8 tt0 -94.02 121.47 35.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.336 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -102.01 136.35 41.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.197 -0.456 . . . . 0.43 110.386 -177.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.89 136.63 40.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.048 -0.524 . . . . 1.12 110.671 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.84 140.42 77.73 Favored Pre-proline 0 C--O 1.235 0.335 0 CA-C-O 120.874 0.368 . . . . 1.22 111.421 -177.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -68.78 159.67 52.79 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.744 2.296 . . . . 1.49 111.407 175.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -59.5 -17.17 39.68 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 123.061 2.508 . . . . 2.4 113.01 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.0 -14.72 53.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.566 -0.288 . . . . 1.64 111.67 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.82 178.43 34.98 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.656 -0.783 . . . . 1.0 111.997 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -96.95 139.63 21.66 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-O 120.991 0.424 . . . . 1.53 110.848 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.496 ' HD2' HD22 ' A' ' 48' ' ' LEU . 51.0 Cg_exo -59.81 -178.59 0.18 Allowed 'Trans proline' 0 CA--C 1.519 -0.259 0 C-N-CA 123.927 3.085 . . . . 0.92 113.482 170.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.872 HE21 ' HA ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -114.47 112.5 23.09 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 114.745 -1.116 . . . . 2.23 109.585 177.541 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 135.71 27.07 0.45 Allowed Glycine 0 C--N 1.31 -0.874 0 CA-C-N 114.703 -1.135 . . . . 0.67 111.633 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.496 HD22 ' HD2' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -135.35 48.98 2.21 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 111.886 0.328 . . . . 1.65 111.886 -176.633 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.571 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 7.7 ptpp? -95.71 167.89 11.0 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.016 -0.364 . . . . 3.53 110.016 -177.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.86 112.0 0.5 Allowed 'General case' 0 C--O 1.233 0.193 0 O-C-N 123.324 0.39 . . . . 1.1 111.202 176.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 110.08 -13.72 31.42 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.849 -0.691 . . . . 0.38 112.928 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.461 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 94.8 m-20 -83.22 140.69 32.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 117.003 0.402 . . . . 0.53 110.183 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.477 ' HB3' ' HG2' ' A' ' 74' ' ' GLN . 0.4 OUTLIER -97.55 123.55 41.48 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.594 -0.521 . . . . 3.72 109.594 174.892 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.69 HG13 ' HA ' ' A' ' 73' ' ' PRO . 15.0 m -128.33 151.39 35.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-O 121.042 0.449 . . . . 1.11 111.448 -176.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.97 123.13 48.63 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.621 -0.881 . . . . 1.03 108.621 174.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.682 ' HB3' HG21 ' A' ' 71' ' ' VAL . 17.8 p90 -141.71 172.43 12.7 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.917 0.71 . . . . 0.43 112.917 -168.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.762 ' HB3' ' HG2' ' A' ' 5' ' ' ARG . 12.4 p -131.46 144.78 51.41 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 114.776 -1.102 . . . . 1.47 109.504 173.329 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -130.39 148.61 52.23 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.232 -0.44 . . . . 0.5 109.972 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 59' ' ' ARG . 22.6 ttp180 -114.77 118.63 34.13 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.986 -0.552 . . . . 3.57 109.864 -178.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.4 HD22 ' O ' ' A' ' 65' ' ' MET . 14.6 mt -89.58 141.6 28.45 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 115.63 -0.714 . . . . 1.59 110.292 -178.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.523 ' CG ' ' HG2' ' A' ' 65' ' ' MET . 8.1 p-10 -103.36 169.64 7.16 Favored Pre-proline 0 C--N 1.316 -0.858 0 N-CA-C 109.68 -0.489 . . . . 1.87 109.68 173.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.423 ' CD ' ' HB2' ' A' ' 61' ' ' ASP . 17.4 Cg_exo -65.22 -11.59 30.79 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.879 2.386 . . . . 1.81 111.747 -179.017 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -85.21 -26.97 26.41 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.315 -0.624 . . . . 2.88 109.315 -178.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.01 30.21 5.52 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.337 -0.847 . . . . 1.2 112.723 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.523 ' HG2' ' CG ' ' A' ' 61' ' ' ASP . 25.4 ptm -102.57 139.69 37.83 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.246 -0.65 . . . . 3.17 109.246 176.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -106.38 102.87 12.24 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.341 0.591 . . . . 1.18 109.599 -177.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.79 133.56 42.93 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.594 -0.73 . . . . 1.4 110.238 -175.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 26.3 tp -76.0 121.33 22.57 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.114 -0.494 . . . . 1.82 109.859 -178.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.3 t -89.12 -63.14 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.357 0.599 . . . . 1.61 110.044 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.4 p -144.91 144.24 30.98 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.348 -0.842 . . . . 1.12 109.646 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.682 HG21 ' HB3' ' A' ' 56' ' ' PHE . 9.4 p -141.14 129.01 22.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 109.77 -0.456 . . . . 1.09 109.77 178.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -120.66 127.36 26.3 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 116.094 -0.503 . . . . 1.07 110.128 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.69 ' HA ' HG13 ' A' ' 54' ' ' VAL . 60.8 Cg_exo -52.5 122.15 10.31 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.596 2.197 . . . . 1.22 111.539 177.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.477 ' HG2' ' HB3' ' A' ' 53' ' ' ARG . 0.6 OUTLIER -103.74 176.58 5.1 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.378 -0.601 . . . . 1.45 109.378 -178.092 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.2 m . . . . . 0 C--N 1.31 -1.151 0 CA-C-N 115.453 -0.794 . . . . 2.35 109.132 -179.509 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo . . . . . 0 C--O 1.235 0.359 0 CA-C-O 120.946 0.311 . . . . 1.39 112.646 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.435 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 35.9 tt0 -91.8 132.33 36.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.812 -0.631 . . . . 1.13 110.324 -179.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.467 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 79.8 m-70 -128.33 163.37 24.95 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.687 -0.486 . . . . 0.64 109.687 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.571 ' HD2' ' HB3' ' A' ' 57' ' ' SER . 18.8 mmm180 -95.77 147.39 23.68 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.519 -0.178 . . . . 2.93 110.519 179.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.44 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . . . -154.72 147.12 23.97 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.328 0.585 . . . . 1.12 111.446 176.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.0 m -119.91 158.14 21.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.507 -0.769 . . . . 1.05 110.287 173.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.66 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 172.35 -168.36 41.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.409 -0.9 . . . . 0.28 112.712 178.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -112.32 134.73 53.69 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.69 -0.485 . . . . 3.71 109.69 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.599 HD13 ' CG2' ' A' ' 54' ' ' VAL . 36.3 mm -66.88 132.41 32.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 N-CA-C 109.948 -0.39 . . . . 1.06 109.948 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -96.9 -48.69 5.33 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.289 -0.634 . . . . 1.15 109.289 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.0 m -159.98 146.49 15.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.759 -0.655 . . . . 1.05 109.984 174.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.715 HG22 HD21 ' A' ' 18' ' ' LEU . 22.9 mt -102.99 134.61 43.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.443 -0.344 . . . . 1.42 110.147 175.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -111.96 -175.16 19.81 Favored Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 111.535 -0.626 . . . . 1.06 111.535 175.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -83.93 -16.96 42.3 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.959 0.409 . . . . 2.55 110.705 -177.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -146.82 -6.73 0.5 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.95 -0.568 . . . . 4.52 111.938 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 p -155.33 140.05 17.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.809 0.338 . . . . 1.27 110.63 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.715 HD21 HG22 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -123.04 130.4 52.75 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.898 -0.592 . . . . 1.62 109.939 -177.677 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 58.1 mt -82.48 123.08 38.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 109.036 -0.727 . . . . 1.26 109.036 174.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.406 ' HB ' ' CE1' ' A' ' 37' ' ' PHE . 78.9 mt -128.35 132.46 68.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.944 0.402 . . . . 1.07 110.853 -177.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.01 89.52 7.62 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 109.311 -0.626 . . . . 1.1 109.311 172.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.66 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 26.4 p80 -85.68 156.01 20.84 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.424 -0.807 . . . . 0.38 109.848 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -70.99 -158.95 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.3 -0.259 . . . . 3.05 110.3 176.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.72 -47.29 82.83 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.555 0.576 . . . . 1.5 112.555 -172.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.418 HG21 ' H ' ' A' ' 28' ' ' ALA . 16.3 mt 68.72 92.61 0.06 OUTLIER Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 120.969 0.414 . . . . 1.26 110.981 -174.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -65.48 -35.35 39.34 Favored 'Trans proline' 0 CA--C 1.527 0.15 0 C-N-CA 122.614 2.209 . . . . 1.29 112.47 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.467 ' HB2' ' HB3' ' A' ' 4' ' ' HIS . 4.9 m -66.99 -25.45 66.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.478 -0.328 . . . . 1.43 111.663 -176.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.418 ' H ' HG21 ' A' ' 25' ' ' ILE . . . -107.34 -2.51 20.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.871 0.367 . . . . 1.34 110.707 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 55.16 39.87 31.59 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.517 -0.765 . . . . 2.21 111.387 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 39.7 m0 -94.97 173.8 7.41 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.873 -0.603 . . . . 1.12 110.202 177.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.08 39.31 2.04 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.799 -0.715 . . . . 1.67 112.156 -177.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 70.04 123.34 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.42 0.688 . . . . 1.16 111.634 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 21.9 ptt? -172.09 154.35 3.39 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.151 -0.477 . . . . 1.47 110.751 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.28 106.15 5.78 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 115.909 -0.587 . . . . 1.15 110.998 178.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.4 mmm -118.44 156.79 28.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.363 -0.38 . . . . 2.01 110.924 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -97.94 125.12 42.7 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.536 -0.757 . . . . 1.0 110.017 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.818 ' HB3' ' HG ' ' A' ' 68' ' ' LEU . 74.4 m-85 -104.84 130.02 53.05 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.721 -0.672 . . . . 0.43 110.531 -178.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.83 139.49 41.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.244 -0.435 . . . . 1.12 110.335 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.35 144.66 28.31 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.418 -0.356 . . . . 1.22 110.977 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -61.9 149.45 90.15 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.475 2.117 . . . . 1.49 110.981 172.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -57.27 -20.33 38.63 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.072 2.515 . . . . 2.4 113.175 -176.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.75 -22.93 61.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.482 -0.326 . . . . 1.64 111.344 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.41 171.48 32.05 Favored Glycine 0 N--CA 1.442 -0.963 0 C-N-CA 120.623 -0.798 . . . . 1.0 112.259 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.428 HD22 HD22 ' A' ' 18' ' ' LEU . 2.5 mm? -91.8 152.2 42.91 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-O 120.725 0.297 . . . . 1.53 110.779 -176.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 6.6 Cg_exo -74.5 -165.96 0.3 Allowed 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 123.04 2.493 . . . . 0.92 111.641 172.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.7 160.78 20.24 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.124 -0.489 . . . . 2.23 110.463 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.61 13.1 65.74 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.778 -0.725 . . . . 0.67 111.807 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.498 ' O ' HD12 ' A' ' 13' ' ' ILE . 0.9 OUTLIER -136.52 45.13 2.34 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.363 0.601 . . . . 1.65 110.55 -178.729 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.585 ' HG3' ' OD2' ' A' ' 52' ' ' ASP . 4.5 pttp -96.11 -178.32 4.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.392 -0.822 . . . . 3.53 110.741 -174.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.03 117.2 1.99 Allowed 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.302 -0.408 . . . . 1.1 111.86 -178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.69 -20.63 29.26 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.883 -0.599 . . . . 0.38 112.712 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.585 ' OD2' ' HG3' ' A' ' 49' ' ' LYS . 8.8 m-20 -79.93 159.9 26.17 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.461 0.648 . . . . 0.53 111.437 -176.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.05 121.25 44.83 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.093 -0.958 . . . . 3.72 109.198 177.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.62 HG13 ' HA ' ' A' ' 73' ' ' PRO . 12.5 m -130.26 150.44 34.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.281 0.563 . . . . 1.11 112.058 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.49 118.93 38.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.282 -0.872 . . . . 1.03 108.803 175.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.715 ' HB3' HG21 ' A' ' 71' ' ' VAL . 27.1 p90 -136.09 167.49 21.16 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.258 0.836 . . . . 0.43 113.258 -168.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.571 ' HB3' ' HD2' ' A' ' 5' ' ' ARG . 73.0 p -121.4 142.14 50.29 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 114.925 -1.034 . . . . 1.47 109.228 170.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -144.43 160.33 41.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.395 -0.366 . . . . 0.5 110.029 -177.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.435 ' HA ' ' HA ' ' A' ' 3' ' ' GLU . 7.6 mtm180 -104.48 162.16 13.48 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.468 -0.493 . . . . 3.57 109.84 176.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' A' ' 65' ' ' MET . 13.3 mt -109.85 116.36 31.51 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.819 -0.628 . . . . 1.59 110.267 170.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.567 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 28.8 m-20 -82.86 168.01 25.85 Favored Pre-proline 0 C--N 1.318 -0.784 0 N-CA-C 108.493 -0.928 . . . . 1.87 108.493 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.49 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 52.9 Cg_exo -55.08 -23.39 35.48 Favored 'Trans proline' 0 CA--C 1.535 0.535 0 C-N-CA 122.737 2.291 . . . . 1.81 114.53 -168.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -88.59 -9.85 50.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.997 0.427 . . . . 2.88 111.168 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.28 28.49 9.12 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.482 -1.047 . . . . 1.2 110.482 -172.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.567 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 80.9 mtp -88.91 146.46 24.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.919 -0.64 . . . . 3.17 110.123 -177.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.436 ' O ' ' HA ' ' A' ' 37' ' ' PHE . . . -108.94 121.16 44.54 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.261 -0.427 . . . . 1.18 110.654 -176.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.8 t -120.21 126.05 49.67 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 110.005 -0.369 . . . . 1.4 110.005 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.818 ' HG ' ' HB3' ' A' ' 37' ' ' PHE . 61.6 mt -72.11 141.73 49.17 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.897 0.38 . . . . 1.82 110.523 -177.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.9 t -111.72 -54.75 4.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-N 115.889 -0.596 . . . . 1.61 109.708 177.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.0 p -146.29 143.38 29.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.593 -0.731 . . . . 1.12 109.819 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.715 HG21 ' HB3' ' A' ' 56' ' ' PHE . 10.4 p -142.04 132.95 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.338 0.589 . . . . 1.09 111.406 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.86 132.7 24.25 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.822 -0.627 . . . . 1.07 110.245 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.62 ' HA ' HG13 ' A' ' 54' ' ' VAL . 48.5 Cg_exo -58.72 127.67 25.33 Favored 'Trans proline' 0 CA--C 1.528 0.202 0 C-N-CA 122.954 2.436 . . . . 1.22 112.279 178.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.492 ' HG2' ' C ' ' A' ' 54' ' ' VAL . 1.1 pt20 -118.77 175.2 5.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.797 -0.638 . . . . 1.45 109.934 -178.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.6 m . . . . . 0 C--N 1.315 -0.904 0 CA-C-N 115.343 -0.844 . . . . 2.35 109.015 179.513 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo . . . . . 0 C--O 1.235 0.341 0 CA-C-O 120.88 0.283 . . . . 1.39 112.403 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -86.74 130.71 34.37 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.091 -0.504 . . . . 1.13 110.441 -177.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 49.1 m-70 -128.15 150.69 49.88 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.226 -1.028 . . . . 0.64 108.226 177.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.485 ' HG2' ' HB3' ' A' ' 57' ' ' SER . 39.9 mtp180 -97.25 155.45 16.86 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.344 -0.543 . . . . 2.93 111.688 178.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.441 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . . . -159.75 159.49 32.84 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.323 -0.853 . . . . 1.12 110.662 176.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.508 ' HB ' ' NE2' ' A' ' 74' ' ' GLN . 29.9 m -123.42 146.86 28.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.626 -0.716 . . . . 1.05 109.375 172.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.66 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -169.22 178.22 42.51 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.045 -1.074 . . . . 0.28 112.868 -179.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -112.16 135.8 52.36 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.856 -0.424 . . . . 3.71 109.856 -178.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.0 mm -71.93 135.3 28.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 116.227 -0.442 . . . . 1.06 110.818 -177.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.559 HE21 ' HB3' ' A' ' 21' ' ' ALA . 83.0 mm-40 -95.71 -46.0 6.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.954 -0.567 . . . . 1.15 109.824 174.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.425 ' HG ' ' C ' ' A' ' 11' ' ' GLN . 20.0 m -159.39 159.25 33.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.58 -0.736 . . . . 1.05 110.128 -178.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.853 HD11 ' HA ' ' A' ' 49' ' ' LYS . 54.1 mt -115.05 143.8 24.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.14 0.495 . . . . 1.42 111.374 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.442 ' H ' ' HB3' ' A' ' 18' ' ' LEU . . . -133.34 176.99 19.32 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 110.498 -1.041 . . . . 1.06 110.498 173.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -65.89 -49.74 66.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.192 0.496 . . . . 2.55 111.341 -178.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.425 ' NH1' ' HG ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -129.46 4.05 5.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.333 -0.394 . . . . 4.52 111.841 -174.767 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.425 ' HG ' ' NH1' ' A' ' 16' ' ' ARG . 6.3 p -155.6 143.48 19.81 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.075 0.464 . . . . 1.27 110.51 172.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.658 HD21 ' HG ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -150.05 155.04 39.18 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.778 -0.647 . . . . 1.62 110.472 -178.156 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.3 mt -97.15 128.52 48.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.304 -0.407 . . . . 1.26 110.702 -173.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 73.9 mt -129.55 127.97 65.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.143 -0.48 . . . . 1.07 110.853 -178.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.564 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -86.7 91.07 8.49 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.806 -0.813 . . . . 1.1 108.806 173.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.66 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 24.9 p80 -84.83 154.02 22.58 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.519 -0.764 . . . . 0.38 110.875 -176.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -66.15 -166.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.56 -0.745 . . . . 3.05 110.985 175.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.464 ' O ' ' HB2' ' A' ' 30' ' ' TRP . . . -56.33 -46.73 79.77 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.883 -0.598 . . . . 1.5 112.174 -176.186 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.461 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 27.6 mt 75.18 92.44 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.176 -0.465 . . . . 1.26 110.866 -177.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.77 -9.18 22.28 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.499 2.133 . . . . 1.29 112.19 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.423 ' HB3' ' HB3' ' A' ' 4' ' ' HIS . 49.9 m -80.08 -19.37 47.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.967 -0.56 . . . . 1.43 110.865 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.97 -9.53 7.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 1.34 111.44 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 64.76 34.09 9.79 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.231 -0.44 . . . . 2.21 111.15 -178.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.464 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 53.2 m0 -84.48 173.92 10.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.069 -0.514 . . . . 1.12 110.202 177.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.81 36.93 3.07 Favored Glycine 0 C--N 1.323 -0.193 0 C-N-CA 120.622 -0.799 . . . . 1.67 112.99 -176.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.452 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 69.02 128.8 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.263 0.625 . . . . 1.16 111.794 178.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 19.2 ptt? -171.73 146.47 2.12 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.915 -0.584 . . . . 1.47 111.045 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.564 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 21.0 m -75.05 108.66 7.93 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.388 -0.824 . . . . 1.15 110.277 178.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.2 mmm -127.03 158.23 37.49 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.157 -0.474 . . . . 2.01 111.56 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -90.71 136.82 32.82 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.345 -0.843 . . . . 1.0 109.872 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -115.32 138.83 50.55 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.195 -0.457 . . . . 0.43 109.84 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.82 132.23 42.75 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.82 -0.627 . . . . 1.12 110.219 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.06 155.86 37.74 Favored Pre-proline 0 C--N 1.316 -0.864 0 CA-C-N 116.2 -0.454 . . . . 1.22 110.35 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.55 159.53 53.14 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.539 2.16 . . . . 1.49 111.047 173.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -57.66 -15.51 20.98 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.034 2.489 . . . . 2.4 112.939 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.72 -36.35 78.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.474 . . . . 1.64 110.852 177.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.38 166.87 33.91 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.949 -0.644 . . . . 1.0 112.852 177.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.658 ' HG ' HD21 ' A' ' 18' ' ' LEU . 2.5 mm? -95.71 149.98 36.79 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-O 120.642 0.258 . . . . 1.53 111.029 -177.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -78.52 -164.14 0.26 Allowed 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.427 2.085 . . . . 0.92 111.741 172.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.428 HE21 ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -103.64 177.51 4.82 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.577 -0.527 . . . . 2.23 109.577 173.084 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.11 10.34 62.62 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.546 -0.835 . . . . 0.67 111.511 -177.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.484 ' HB3' HG13 ' A' ' 54' ' ' VAL . 1.7 pp -143.7 47.84 1.44 Allowed 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 122.665 0.386 . . . . 1.65 111.417 -176.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.853 ' HA ' HD11 ' A' ' 13' ' ' ILE . 9.3 ptpp? -94.21 167.02 11.82 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.541 -0.464 . . . . 3.53 110.237 -172.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.93 106.54 0.1 Allowed 'General case' 0 C--O 1.234 0.252 0 O-C-N 123.447 0.467 . . . . 1.1 111.221 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.84 -21.93 7.37 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.964 -0.636 . . . . 0.38 112.494 -177.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.493 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 7.0 m-20 -79.86 153.78 28.83 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 120.936 0.398 . . . . 0.53 110.577 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 53' ' ' ARG . 6.2 ttt180 -111.84 119.37 38.35 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.243 -1.021 . . . . 3.72 108.243 172.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.484 HG13 ' HB3' ' A' ' 48' ' ' LEU . 5.0 m -120.59 155.02 23.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 121.097 0.475 . . . . 1.11 111.679 -172.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.16 130.14 55.49 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.63 -0.878 . . . . 1.03 108.63 175.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.671 ' HB3' HG22 ' A' ' 71' ' ' VAL . 49.6 p90 -148.6 170.23 18.56 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.018 -0.673 . . . . 0.43 112.758 -168.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.485 ' HB3' ' HG2' ' A' ' 5' ' ' ARG . 80.5 p -128.78 137.39 51.51 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 114.834 -1.075 . . . . 1.47 109.045 171.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -134.89 154.21 51.76 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.14 -0.482 . . . . 0.5 110.228 -176.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.5 ' HG3' HG22 ' A' ' 69' ' ' VAL . 47.3 mtm-85 -103.89 124.64 49.33 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 120.734 0.302 . . . . 3.57 110.197 178.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.415 HD22 ' O ' ' A' ' 65' ' ' MET . 13.9 mt -89.46 110.88 21.66 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-N 115.907 -0.588 . . . . 1.59 109.968 176.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -79.07 161.4 68.4 Favored Pre-proline 0 C--N 1.315 -0.924 0 N-CA-C 108.939 -0.763 . . . . 1.87 108.939 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -67.02 1.3 2.94 Favored 'Trans proline' 0 CA--C 1.528 0.192 0 C-N-CA 123.223 2.616 . . . . 1.81 114.317 -166.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -104.41 -8.25 19.3 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.042 0.449 . . . . 2.88 110.656 178.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.66 33.81 6.27 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.593 -0.813 . . . . 1.2 111.209 -176.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.415 ' O ' HD22 ' A' ' 60' ' ' LEU . 26.1 mmt -97.48 145.78 25.87 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.23 -0.656 . . . . 3.17 109.23 178.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.18 97.4 6.04 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.197 -0.668 . . . . 1.18 109.197 -174.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.7 m -101.45 115.66 31.01 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.519 -0.764 . . . . 1.4 110.699 -175.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.7 tp -72.03 122.07 20.27 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.199 -0.909 . . . . 1.82 110.862 -174.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.5 HG22 ' HG3' ' A' ' 59' ' ' ARG . 25.0 t -94.94 -56.65 5.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.849 -0.614 . . . . 1.61 110.226 -178.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.85 135.64 22.23 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.635 -0.711 . . . . 1.12 110.8 -176.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.671 HG22 ' HB3' ' A' ' 56' ' ' PHE . 7.5 p -138.1 135.77 44.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.018 0.437 . . . . 1.09 110.808 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -124.26 146.19 50.93 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.96 -0.564 . . . . 1.07 110.374 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -66.99 114.73 3.28 Favored 'Trans proline' 0 N--CA 1.46 -0.441 0 C-N-CA 122.212 1.941 . . . . 1.22 112.62 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.508 ' NE2' ' HB ' ' A' ' 7' ' ' VAL . 10.5 pt20 -109.44 179.05 4.25 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.884 -0.784 . . . . 1.45 108.884 174.159 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.312 -1.022 0 N-CA-C 108.801 -0.815 . . . . 2.35 108.801 -176.671 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo . . . . . 0 C--O 1.236 0.406 0 N-CA-C 113.38 0.492 . . . . 1.39 113.38 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -100.96 122.1 42.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.296 -0.866 . . . . 1.13 110.04 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -118.3 143.44 46.6 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.249 -0.648 . . . . 0.64 109.249 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.68 ' HG2' ' HB3' ' A' ' 57' ' ' SER . 95.9 mtt180 -95.31 157.2 16.0 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.776 0.322 . . . . 2.93 110.714 177.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -159.71 152.63 21.71 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.842 -0.617 . . . . 1.12 110.89 176.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.445 HG11 ' HA ' ' A' ' 55' ' ' ALA . 27.6 m -121.97 146.02 27.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 116.036 -0.529 . . . . 1.05 109.962 173.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.478 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -177.39 -178.15 46.81 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.474 -0.869 . . . . 0.28 112.226 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.489 ' HA ' ' HA ' ' A' ' 53' ' ' ARG . 45.0 ttp180 -106.99 139.51 41.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.039 0.447 . . . . 3.71 110.211 -177.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.531 HD13 ' CG2' ' A' ' 54' ' ' VAL . 29.3 mm -71.87 133.32 32.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.559 -0.746 . . . . 1.06 110.867 -178.103 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.745 HE21 ' HB1' ' A' ' 21' ' ' ALA . 83.6 mm-40 -89.93 -42.68 11.05 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.798 -0.637 . . . . 1.15 109.859 176.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.0 t -173.07 160.06 4.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.689 -0.687 . . . . 1.05 109.786 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.629 HD13 ' HA ' ' A' ' 49' ' ' LYS . 87.8 mt -109.11 133.38 54.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.168 -0.469 . . . . 1.42 110.314 178.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.98 -142.2 12.8 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.624 -0.716 . . . . 1.06 111.872 176.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -113.87 -32.79 5.98 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.309 -0.626 . . . . 2.55 109.309 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -137.53 3.31 2.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.526 -0.761 . . . . 4.52 111.199 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.8 p -157.2 160.93 39.2 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.317 -0.623 . . . . 1.27 109.317 172.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.459 ' HB3' ' HA ' ' A' ' 13' ' ' ILE . 0.7 OUTLIER -149.84 151.37 33.41 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.019 0.437 . . . . 1.62 111.522 179.683 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.549 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 18.6 mt -92.8 129.83 42.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.54 -0.755 . . . . 1.26 110.802 -172.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.9 mt -130.19 129.78 65.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.085 0.469 . . . . 1.07 111.346 -178.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.745 ' HB1' HE21 ' A' ' 11' ' ' GLN . . . -86.27 93.74 9.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.901 -0.59 . . . . 1.1 109.884 173.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.478 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 24.3 p80 -91.81 155.38 18.27 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.79 -0.641 . . . . 0.38 110.692 -175.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -69.74 -168.95 0.21 Allowed 'General case' 0 C--O 1.241 0.641 0 CA-C-N 116.022 -0.536 . . . . 3.05 111.356 177.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.414 ' O ' ' HD3' ' A' ' 26' ' ' PRO . . . -76.05 73.0 2.92 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.968 -0.56 . . . . 1.5 111.58 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.609 HG21 ' H ' ' A' ' 28' ' ' ALA . 42.5 mt -47.95 102.87 0.33 Allowed Pre-proline 0 C--N 1.32 -0.712 0 O-C-N 124.234 0.959 . . . . 1.26 112.287 176.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 24' ' ' ALA . 12.6 Cg_exo -73.22 -18.2 23.74 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.816 2.344 . . . . 1.29 111.374 176.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.3 m -69.91 -41.47 74.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.296 -0.866 . . . . 1.43 111.364 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.609 ' H ' HG21 ' A' ' 25' ' ' ILE . . . -110.95 2.31 18.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.492 -0.322 . . . . 1.34 111.265 -177.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 66.31 30.03 9.2 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.809 -0.632 . . . . 2.21 110.657 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.455 ' HB2' ' HB ' ' A' ' 25' ' ' ILE . 44.6 m0 -93.08 110.06 21.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.342 -0.39 . . . . 1.12 110.258 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.66 65.67 4.03 Favored Glycine 0 C--N 1.32 -0.316 0 CA-C-N 115.937 -0.574 . . . . 1.67 113.221 -172.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.406 ' H ' ' HA ' ' A' ' 24' ' ' ALA . . . 55.98 93.2 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.316 0.646 . . . . 1.16 112.502 175.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 22.6 ptt? -153.0 149.61 28.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.061 0.458 . . . . 1.47 111.059 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.437 HG23 ' HG3' ' A' ' 11' ' ' GLN . 23.4 m -74.66 110.33 8.86 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.019 -0.991 . . . . 1.15 110.032 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 44.0 tpp -128.6 148.2 50.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.08 -0.509 . . . . 2.01 110.706 -178.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.549 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 35.0 tt0 -94.85 133.37 38.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.799 0.333 . . . . 1.0 110.16 178.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -112.5 142.32 45.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.236 -0.438 . . . . 0.43 110.56 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.444 ' HB3' HG22 ' A' ' 67' ' ' THR . . . -80.85 141.96 34.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.427 -0.351 . . . . 1.12 110.761 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.83 141.14 67.91 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.276 -0.42 . . . . 1.22 111.503 -178.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.31 158.88 52.79 Favored 'Trans proline' 0 C--O 1.236 0.4 0 C-N-CA 122.707 2.271 . . . . 1.49 111.533 175.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -63.14 -13.83 37.93 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.778 2.319 . . . . 2.4 112.984 -177.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.58 -14.13 52.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.356 -0.383 . . . . 1.64 111.584 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.44 174.52 35.61 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.913 -0.66 . . . . 1.0 112.186 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -93.9 139.33 22.63 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.905 0.383 . . . . 1.53 111.268 -178.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.642 ' HD2' HD22 ' A' ' 48' ' ' LEU . 57.0 Cg_endo -81.94 -167.18 0.46 Allowed 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 123.106 2.537 . . . . 0.92 111.878 171.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.636 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 0.9 OUTLIER -110.31 158.88 17.94 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.692 -0.686 . . . . 2.23 110.156 176.827 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.83 11.72 45.83 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.264 -0.493 . . . . 0.67 112.557 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.642 HD22 ' HD2' ' A' ' 45' ' ' PRO . 0.4 OUTLIER -129.3 46.66 2.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.84 0.352 . . . . 1.65 111.542 -177.879 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.629 ' HA ' HD13 ' A' ' 13' ' ' ILE . 88.0 mttt -95.19 171.24 8.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.104 0.478 . . . . 3.53 111.984 -174.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.02 107.66 0.15 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.994 -1.003 . . . . 1.1 111.177 177.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.68 -17.06 18.52 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.76 -0.733 . . . . 0.38 112.537 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.477 ' O ' HG12 ' A' ' 10' ' ' ILE . 11.6 m-20 -85.65 145.36 27.35 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.058 -0.349 . . . . 0.53 110.058 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.489 ' HA ' ' HA ' ' A' ' 9' ' ' ARG . 13.8 ttt180 -108.67 117.69 34.84 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 109.532 -0.544 . . . . 3.72 109.532 175.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.8 HG12 ' HA ' ' A' ' 73' ' ' PRO . 3.6 m -116.25 160.68 15.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.839 -0.618 . . . . 1.11 111.327 -174.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.445 ' HA ' HG11 ' A' ' 7' ' ' VAL . . . -110.24 118.36 36.14 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.853 -0.795 . . . . 1.03 108.853 175.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.761 ' HB3' HG23 ' A' ' 71' ' ' VAL . 38.2 p90 -136.52 167.23 21.75 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.731 0.641 . . . . 0.43 112.731 -169.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.68 ' HB3' ' HG2' ' A' ' 5' ' ' ARG . 28.0 p -130.11 139.25 50.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.197 -0.91 . . . . 1.47 109.635 173.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -138.49 151.74 47.65 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.262 -0.426 . . . . 0.5 110.624 -176.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.605 ' HG3' HG22 ' A' ' 69' ' ' VAL . 56.1 mtt180 -109.32 137.8 46.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.996 0.427 . . . . 3.57 110.895 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.54 HD21 ' HA ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -102.53 145.26 29.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.446 -0.797 . . . . 1.59 110.327 -179.71 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -97.99 169.13 8.88 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 108.806 -0.812 . . . . 1.87 108.806 173.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.7 -12.94 33.87 Favored 'Trans proline' 0 C--N 1.334 -0.208 0 C-N-CA 123.069 2.513 . . . . 1.81 112.993 -178.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -85.55 -26.82 25.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.82 0.343 . . . . 2.88 110.362 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.34 26.48 5.94 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 1.2 112.106 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.8 mmt -95.89 153.18 17.89 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.702 -0.481 . . . . 3.17 109.702 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.54 ' HA ' HD21 ' A' ' 60' ' ' LEU . . . -120.77 119.73 33.58 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.943 0.401 . . . . 1.18 110.738 -171.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.444 HG22 ' HB3' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -121.01 125.37 47.17 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.997 -0.547 . . . . 1.4 110.903 -178.454 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.9 tp -75.47 134.39 40.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.221 -0.445 . . . . 1.82 110.648 -176.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.605 HG22 ' HG3' ' A' ' 59' ' ' ARG . 25.0 t -105.01 -54.78 6.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.992 -0.549 . . . . 1.61 110.478 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -147.12 142.17 27.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.703 -0.68 . . . . 1.12 110.844 -177.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.761 HG23 ' HB3' ' A' ' 56' ' ' PHE . 14.8 p -138.32 136.86 44.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.126 0.489 . . . . 1.09 110.201 178.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -120.01 124.77 27.67 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 116.123 -0.49 . . . . 1.07 110.342 177.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.8 ' HA ' HG12 ' A' ' 54' ' ' VAL . 33.5 Cg_exo -59.37 103.2 0.17 Allowed 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.779 2.319 . . . . 1.22 111.781 176.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -103.91 178.75 4.47 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.353 -0.84 . . . . 1.45 109.742 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.312 -1.03 0 CA-C-O 121.482 0.658 . . . . 2.35 110.519 -171.901 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.439 ' O ' ' HA ' ' A' ' 59' ' ' ARG . 28.1 Cg_exo . . . . . 0 C--O 1.236 0.377 0 CA-C-O 121.032 0.346 . . . . 1.39 112.463 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.463 ' HA ' ' O ' ' A' ' 58' ' ' PHE . 22.9 tt0 -90.13 130.42 36.29 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.671 -0.695 . . . . 1.13 110.417 179.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.46 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 79.9 m-70 -119.72 142.62 48.35 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.471 -0.566 . . . . 0.64 109.471 177.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.506 ' HD3' ' HB3' ' A' ' 57' ' ' SER . 13.8 mmt180 -78.68 138.89 38.5 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.292 -0.262 . . . . 2.93 110.292 176.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.65 133.9 17.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.203 0.525 . . . . 1.12 111.408 -178.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.435 ' HB ' HE22 ' A' ' 74' ' ' GLN . 31.2 m -122.41 152.46 26.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 109.599 -0.519 . . . . 1.05 109.599 175.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.607 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -178.29 -166.25 34.31 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 119.821 -1.18 . . . . 0.28 113.498 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -118.26 128.89 55.11 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.173 -0.677 . . . . 3.71 109.173 -176.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.588 HD11 HG21 ' A' ' 54' ' ' VAL . 41.7 mm -66.09 130.63 31.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.813 0.34 . . . . 1.06 110.53 -176.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.503 ' HG2' HG23 ' A' ' 34' ' ' THR . 3.5 tp-100 -92.34 -52.14 4.81 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.771 -0.65 . . . . 1.15 109.527 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.4 m -160.77 150.19 17.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.858 -0.61 . . . . 1.05 109.828 176.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.613 HD11 ' HA ' ' A' ' 49' ' ' LYS . 72.4 mt -98.51 142.39 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 1.42 110.879 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.435 ' HA3' ' O ' ' A' ' 17' ' ' SER . . . -105.82 -139.07 9.49 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.844 -0.616 . . . . 1.06 112.365 178.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -104.08 -44.43 5.0 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.888 0.851 . . . . 2.55 108.956 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.42 12.68 1.19 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.293 -1.322 . . . . 4.52 109.527 -178.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.435 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 35.8 p -154.85 154.23 32.4 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.075 -1.084 . . . . 1.27 108.075 173.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.802 HD22 ' HG ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -151.86 152.86 33.15 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 120.98 0.419 . . . . 1.62 111.327 -177.59 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.638 HG21 HG22 ' A' ' 34' ' ' THR . 14.0 mt -93.59 131.27 41.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.356 -0.838 . . . . 1.26 110.077 -174.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 68.3 mt -131.42 128.97 61.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.011 0.434 . . . . 1.07 111.29 -177.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.618 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -77.69 90.67 4.0 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.969 -0.752 . . . . 1.1 108.969 169.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.607 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 24.4 p80 -87.67 157.59 19.05 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.02 -0.536 . . . . 0.38 110.863 -178.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -63.71 -169.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.473 -0.785 . . . . 3.05 111.433 175.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.582 ' HA ' ' H ' ' A' ' 32' ' ' ALA . . . -58.24 -49.74 76.04 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.882 -0.599 . . . . 1.5 111.815 -176.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.415 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 31.0 mt 73.67 87.27 0.09 OUTLIER Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.858 -0.61 . . . . 1.26 110.581 -177.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.7 -23.06 63.63 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.929 2.419 . . . . 1.29 112.502 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.46 ' HB3' ' HB3' ' A' ' 4' ' ' HIS . 8.0 t -76.85 -12.73 60.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.831 0.348 . . . . 1.43 110.885 -178.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.54 -9.2 8.49 Favored 'General case' 0 C--N 1.33 -0.283 0 C-N-CA 121.103 -0.239 . . . . 1.34 111.236 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 66.72 30.96 7.85 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.941 -0.572 . . . . 2.21 111.176 178.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 46.4 m0 -88.6 174.07 8.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.979 -0.555 . . . . 1.12 110.094 178.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.64 48.5 0.97 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.549 -0.834 . . . . 1.67 113.199 -174.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.582 ' H ' ' HA ' ' A' ' 24' ' ' ALA . . . 59.39 92.43 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.458 0.54 . . . . 1.16 112.458 174.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 20.9 ptt? -146.79 152.94 39.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.278 -0.419 . . . . 1.47 110.908 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.638 HG22 HG21 ' A' ' 19' ' ' ILE . 13.9 m -75.17 108.78 8.15 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.615 -0.72 . . . . 1.15 110.823 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.7 mmm -126.48 156.31 40.9 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.095 -0.502 . . . . 2.01 111.155 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.56 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 72.4 tt0 -97.41 141.54 30.36 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.41 -178.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -120.63 131.87 54.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.306 -0.406 . . . . 0.43 109.991 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.54 128.72 37.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.317 -0.401 . . . . 1.12 110.768 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.67 165.81 13.99 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.346 -0.388 . . . . 1.22 110.537 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.17 152.46 65.8 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.195 1.93 . . . . 1.49 111.178 171.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.42 -15.57 11.94 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 123.131 2.554 . . . . 2.4 113.299 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.93 -39.15 73.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 1.64 111.262 174.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.31 174.23 20.49 Favored Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.785 -0.722 . . . . 1.0 112.059 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.802 ' HG ' HD22 ' A' ' 18' ' ' LEU . 3.7 mm? -92.0 156.38 42.35 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-O 120.765 0.317 . . . . 1.53 111.047 -178.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -74.69 -163.57 0.19 Allowed 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.794 2.329 . . . . 0.92 112.033 172.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.6 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -117.88 148.3 42.27 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.257 -0.883 . . . . 2.23 110.494 -178.487 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.76 18.04 12.28 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 111.579 -0.608 . . . . 0.67 111.579 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.654 ' HB3' HG13 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -134.31 55.52 1.89 Allowed 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.053 0.454 . . . . 1.65 111.208 -177.156 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.613 ' HA ' HD11 ' A' ' 13' ' ' ILE . 7.1 ptpp? -94.27 168.7 10.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.302 -0.408 . . . . 3.53 110.099 -174.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.4 106.8 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.414 0.446 . . . . 1.1 110.69 176.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.61 -16.0 12.63 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.928 -0.654 . . . . 0.38 112.877 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.581 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 17.4 m-20 -80.34 156.2 26.85 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 117.313 0.556 . . . . 0.53 111.026 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.3 ttt85 -110.17 120.43 42.43 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.75 -0.659 . . . . 3.72 109.414 174.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.654 HG13 ' HB3' ' A' ' 48' ' ' LEU . 13.2 m -125.63 156.82 35.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.823 -0.626 . . . . 1.11 111.073 -176.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -114.46 124.8 52.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.671 -0.695 . . . . 1.03 109.189 175.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.449 ' HA ' ' O ' ' A' ' 70' ' ' THR . 11.0 p90 -140.66 178.44 7.33 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.217 0.532 . . . . 0.43 111.759 -174.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.594 ' C ' HG22 ' A' ' 69' ' ' VAL . 1.3 p -134.67 -178.78 5.23 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 108.621 -0.881 . . . . 1.47 108.621 166.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.463 ' O ' ' HA ' ' A' ' 3' ' ' GLU . 33.4 p90 -170.46 158.56 6.51 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.957 -0.386 . . . . 0.5 109.957 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.439 ' HA ' ' O ' ' A' ' 2' ' ' PRO . 28.6 mtm-85 -110.87 134.15 52.78 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.889 -0.411 . . . . 3.57 109.889 178.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 60' ' ' LEU . 10.1 mt -93.03 113.07 25.23 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.959 -0.386 . . . . 1.59 109.959 174.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -83.01 164.24 47.26 Favored Pre-proline 0 C--N 1.315 -0.907 0 CA-C-N 115.919 -0.582 . . . . 1.87 109.496 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -71.07 0.93 5.86 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.899 2.399 . . . . 1.81 112.527 -172.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -101.12 -4.55 27.1 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.049 -0.523 . . . . 2.88 110.499 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.29 32.81 15.69 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 110.922 -0.871 . . . . 1.2 110.922 -177.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 24.6 mmt -95.6 141.89 28.56 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.788 -0.449 . . . . 3.17 109.788 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -110.94 97.01 6.5 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.49 -0.929 . . . . 1.18 108.49 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.8 m -105.86 112.53 25.63 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.514 -0.766 . . . . 1.4 110.806 -171.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 25.7 tp -65.71 139.94 58.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.391 -0.822 . . . . 1.82 110.109 -176.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.609 HG21 ' H ' ' A' ' 70' ' ' THR . 13.6 m -109.43 -59.07 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 CA-C-N 116.473 -0.331 . . . . 1.61 111.217 -178.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.609 ' H ' HG21 ' A' ' 69' ' ' VAL . 1.7 p -146.63 131.55 18.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.668 -0.242 . . . . 1.12 110.471 177.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.3 p -128.27 133.22 67.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 O-C-N 123.522 0.513 . . . . 1.09 109.748 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -131.48 134.21 25.32 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 116.405 -0.362 . . . . 1.07 110.598 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.6 ' HA ' HG12 ' A' ' 54' ' ' VAL . 54.1 Cg_exo -53.73 123.43 13.38 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.928 2.418 . . . . 1.22 111.816 176.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.435 HE22 ' HB ' ' A' ' 7' ' ' VAL . 10.7 pt20 -123.24 177.56 5.52 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.232 -0.44 . . . . 1.45 110.244 -177.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.0 t . . . . . 0 C--N 1.32 -0.682 0 N-CA-C 108.851 -0.796 . . . . 2.35 108.851 -174.787 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo . . . . . 0 C--O 1.235 0.371 0 CA-C-O 121.009 0.337 . . . . 1.39 112.583 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -90.89 131.75 36.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.678 -0.692 . . . . 1.13 109.969 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -127.91 150.73 49.75 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.326 -0.62 . . . . 0.64 109.326 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.535 ' HG2' ' HB3' ' A' ' 57' ' ' SER . 78.2 mtt180 -104.99 151.72 23.59 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.958 -0.297 . . . . 2.93 110.736 176.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.488 ' CB ' HG12 ' A' ' 25' ' ' ILE . . . -156.56 152.23 27.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.713 -0.676 . . . . 1.12 110.007 177.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.727 ' HB ' HE22 ' A' ' 74' ' ' GLN . 30.1 m -122.12 158.58 25.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 120.97 0.414 . . . . 1.05 110.355 174.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 172.78 -146.38 9.06 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.116 -1.04 . . . . 0.28 112.53 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.417 ' HA ' ' HA ' ' A' ' 53' ' ' ARG . 11.4 ttm180 -129.6 137.85 50.93 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.695 -0.483 . . . . 3.71 109.695 -175.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.634 HD11 HG23 ' A' ' 54' ' ' VAL . 50.7 mm -69.01 117.72 12.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 109.744 -0.465 . . . . 1.06 109.744 177.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.511 ' HG2' HG23 ' A' ' 34' ' ' THR . 8.3 tp-100 -83.75 -50.05 8.51 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.98 -0.554 . . . . 1.15 109.542 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.1 m -161.02 141.8 11.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.908 -0.587 . . . . 1.05 110.667 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.517 HG22 HD21 ' A' ' 18' ' ' LEU . 57.8 mt -90.77 131.39 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.334 -0.617 . . . . 1.42 109.334 171.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.91 -161.68 17.64 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.278 -0.487 . . . . 1.06 113.005 -176.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.807 ' HG3' ' HG3' ' A' ' 16' ' ' ARG . 9.3 pt-20 -69.09 -43.62 74.15 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 122.761 0.424 . . . . 2.55 112.05 -176.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.807 ' HG3' ' HG3' ' A' ' 15' ' ' GLU . 3.0 ppt_? -143.46 17.42 1.86 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.331 0.586 . . . . 4.52 110.269 -177.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.603 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 3.0 p -158.36 166.41 32.35 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 115.156 -0.929 . . . . 1.27 109.039 -175.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.558 HD22 ' HG ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -133.61 131.43 39.62 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 109.111 -0.7 . . . . 1.62 109.111 171.714 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.849 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 4.3 mp -78.27 124.56 36.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 108.526 -0.916 . . . . 1.26 108.526 177.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 69.2 mt -126.41 123.64 63.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.826 0.346 . . . . 1.07 111.276 -174.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.735 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -71.37 95.42 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.442 -0.577 . . . . 1.1 109.442 170.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.0 p80 -101.67 155.31 18.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.272 -0.422 . . . . 0.38 110.826 -176.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.598 ' HG3' ' O ' ' A' ' 7' ' ' VAL . 1.8 pp20? -70.08 -165.15 0.09 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.41 -0.814 . . . . 3.05 111.194 174.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.58 -15.58 62.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.915 0.709 . . . . 1.5 112.915 -171.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.488 HG12 ' CB ' ' A' ' 6' ' ' ALA . 42.5 mt 63.26 85.61 0.16 Allowed Pre-proline 0 C--N 1.322 -0.598 0 CA-C-O 121.074 0.464 . . . . 1.26 110.668 178.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -68.19 -9.07 24.67 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.433 2.089 . . . . 1.29 112.247 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.0 m -87.79 -20.21 26.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.132 -0.486 . . . . 1.43 111.331 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.92 -4.81 8.02 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.234 0.457 . . . . 1.34 112.234 -176.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 58.02 63.57 1.74 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.483 0.658 . . . . 2.21 110.475 -178.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.451 ' CZ2' HD12 ' A' ' 60' ' ' LEU . 18.7 m0 -116.08 176.41 5.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.094 -0.957 . . . . 1.12 110.416 -177.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.422 ' O ' ' HG2' ' A' ' 33' ' ' MET . . . -101.25 159.16 18.77 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.345 -0.931 . . . . 1.67 111.336 170.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.66 126.62 30.16 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.985 -0.376 . . . . 1.16 109.985 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.422 ' HG2' ' O ' ' A' ' 31' ' ' GLY . 4.5 ptt? -171.64 152.3 3.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.081 -0.509 . . . . 1.47 111.256 -174.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.735 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 22.6 m -82.02 107.79 15.0 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.307 -0.86 . . . . 1.15 109.915 177.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 41.6 ttm -131.54 147.5 52.54 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.211 -0.449 . . . . 2.01 111.126 -178.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.849 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 40.5 tt0 -76.75 138.73 40.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.33 -0.85 . . . . 1.0 111.564 -179.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -119.57 128.23 53.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.881 -0.6 . . . . 0.43 109.695 173.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.603 ' HA ' ' HB3' ' A' ' 17' ' ' SER . . . -76.75 144.96 38.9 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.904 -0.589 . . . . 1.12 110.596 -175.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.63 147.17 34.61 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-O 120.525 0.202 . . . . 1.22 110.956 -177.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 68' ' ' LEU . 50.0 Cg_endo -69.81 159.09 54.66 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.456 2.104 . . . . 1.49 111.006 173.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -57.19 -21.83 45.21 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.801 2.334 . . . . 2.4 112.502 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.91 -41.08 91.88 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.98 -0.554 . . . . 1.64 111.531 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.95 178.93 17.82 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.978 -0.63 . . . . 1.0 112.075 -178.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.558 ' HG ' HD22 ' A' ' 18' ' ' LEU . 2.4 mm? -103.07 148.55 35.79 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 120.502 0.192 . . . . 1.53 110.555 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.628 ' HD2' HD21 ' A' ' 48' ' ' LEU . 13.0 Cg_exo -70.63 -163.19 0.11 Allowed 'Trans proline' 0 CA--C 1.528 0.182 0 C-N-CA 123.242 2.628 . . . . 0.92 112.006 172.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -113.44 154.86 26.3 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.967 -0.56 . . . . 2.23 110.114 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.13 27.45 20.91 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.656 -0.783 . . . . 0.67 112.348 175.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.628 HD21 ' HD2' ' A' ' 45' ' ' PRO . 1.2 pp -139.32 45.68 1.95 Allowed 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 120.945 0.403 . . . . 1.65 111.527 -177.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -97.08 173.41 7.27 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.899 -0.32 . . . . 3.53 110.326 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.07 115.07 0.9 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.207 0.527 . . . . 1.1 111.767 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.81 -21.63 12.31 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 115.69 -0.686 . . . . 0.38 112.606 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -79.34 138.34 37.66 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 121.012 0.434 . . . . 0.53 110.53 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.417 ' HA ' ' HA ' ' A' ' 9' ' ' ARG . 34.6 mtt180 -92.46 124.24 36.36 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 108.569 -0.9 . . . . 3.72 108.569 171.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.634 HG23 HD11 ' A' ' 10' ' ' ILE . 15.6 m -126.36 151.22 32.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-O 121.132 0.491 . . . . 1.11 111.758 -176.069 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.425 ' HA ' HG13 ' A' ' 7' ' ' VAL . . . -109.45 122.53 47.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.169 -0.923 . . . . 1.03 108.684 173.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.697 ' HB3' HG21 ' A' ' 71' ' ' VAL . 51.2 p90 -140.67 170.24 16.13 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.061 0.763 . . . . 0.43 113.061 -168.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.535 ' HB3' ' HG2' ' A' ' 5' ' ' ARG . 36.6 p -132.81 144.76 50.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.863 -1.062 . . . . 1.47 109.498 173.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.492 ' HA ' HG21 ' A' ' 69' ' ' VAL . 42.7 p90 -142.85 157.15 44.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.674 0.273 . . . . 0.5 110.793 -176.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.403 ' HG3' ' CG2' ' A' ' 69' ' ' VAL . 57.8 mtm-85 -107.97 139.63 42.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.311 -0.404 . . . . 3.57 110.166 177.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.451 HD12 ' CZ2' ' A' ' 30' ' ' TRP . 13.3 mt -103.79 121.83 43.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.592 -0.277 . . . . 1.59 111.532 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.411 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 21.8 m-20 -82.76 164.24 47.8 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.14 -0.689 . . . . 1.87 109.14 174.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.411 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 6.7 Cg_exo -73.44 1.79 6.42 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 123.093 2.529 . . . . 1.81 111.956 -176.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -94.6 -14.83 24.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.682 -0.69 . . . . 2.88 109.685 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.95 26.38 10.45 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 110.893 -0.883 . . . . 1.2 110.893 -173.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 87.0 mmm -98.8 137.87 36.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.526 -0.337 . . . . 3.17 110.111 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -117.7 104.47 11.02 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.897 -0.592 . . . . 1.18 109.469 -176.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.89 122.35 45.6 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.021 -0.536 . . . . 1.4 110.587 -176.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.407 HD13 ' HB2' ' A' ' 56' ' ' PHE . 60.5 tp -68.98 126.45 29.83 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.002 -0.999 . . . . 1.82 110.725 -177.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.492 HG21 ' HA ' ' A' ' 58' ' ' PHE . 39.0 t -91.47 -58.36 3.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.114 -0.494 . . . . 1.61 110.116 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.0 p -146.67 147.22 30.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.398 -0.819 . . . . 1.12 109.935 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.697 HG21 ' HB3' ' A' ' 56' ' ' PHE . 7.9 p -144.96 134.45 18.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.889 0.376 . . . . 1.09 110.357 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -128.64 137.39 30.84 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.076 -0.511 . . . . 1.07 110.298 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.424 ' HA ' HG11 ' A' ' 54' ' ' VAL . 20.1 Cg_endo -60.52 132.18 41.98 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.698 2.266 . . . . 1.22 112.191 179.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.727 HE22 ' HB ' ' A' ' 7' ' ' VAL . 10.4 pt20 -127.22 178.49 6.0 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.584 -0.734 . . . . 1.45 110.121 -177.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.2 t . . . . . 0 C--N 1.32 -0.676 0 N-CA-C 108.037 -1.097 . . . . 2.35 108.037 -174.348 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo . . . . . 0 C--O 1.234 0.31 0 CA-C-O 121.188 0.412 . . . . 1.39 112.719 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -105.47 116.49 32.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.512 -0.767 . . . . 1.13 109.96 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.411 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 64.7 m-70 -113.29 165.3 12.56 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.431 -0.581 . . . . 0.64 109.431 -179.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.485 ' HA ' ' HA ' ' A' ' 57' ' ' SER . 96.9 mtt180 -108.27 155.96 19.9 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.818 0.342 . . . . 2.93 110.724 177.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.406 ' HB1' ' CE2' ' A' ' 56' ' ' PHE . . . -155.25 148.55 24.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.018 -0.537 . . . . 1.12 110.826 177.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 26.9 m -118.84 152.46 21.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.036 -0.529 . . . . 1.05 109.719 173.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.429 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 178.4 -157.99 22.28 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 119.846 -1.168 . . . . 0.28 113.255 178.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.408 ' HA ' ' HD3' ' A' ' 53' ' ' ARG . 14.8 ttm-85 -118.25 132.91 56.28 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.787 -0.449 . . . . 3.71 109.787 -176.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.572 HD13 HG22 ' A' ' 54' ' ' VAL . 52.0 mm -68.44 121.35 17.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 C-N-CA 120.506 -0.478 . . . . 1.06 109.723 176.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -87.67 -50.54 6.43 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.978 -0.555 . . . . 1.15 109.684 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.9 m -161.35 149.67 15.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.169 -0.469 . . . . 1.05 109.909 175.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.721 HG23 HD21 ' A' ' 18' ' ' LEU . 65.6 mt -95.46 127.82 47.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.877 0.37 . . . . 1.42 110.152 175.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -99.8 -155.07 28.14 Favored Glycine 0 CA--C 1.511 -0.161 0 CA-C-N 116.055 -0.521 . . . . 1.06 113.177 -176.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -76.52 -46.34 26.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.385 0.612 . . . . 2.55 110.187 -178.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.16 14.28 1.85 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.208 -0.906 . . . . 4.52 110.307 178.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.855 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 5.5 p -154.85 146.75 23.49 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.872 -0.603 . . . . 1.27 109.663 -179.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.721 HD21 HG23 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -121.71 136.41 54.94 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 109.368 -0.604 . . . . 1.62 109.368 -178.596 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.73 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 17.5 mt -82.0 129.98 36.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 108.683 -0.858 . . . . 1.26 108.683 177.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.1 mt -129.64 127.18 64.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.222 -0.445 . . . . 1.07 110.832 -175.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.469 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -77.46 91.13 3.88 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.159 -0.682 . . . . 1.1 109.159 171.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.429 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 26.4 p80 -89.48 155.08 19.53 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.961 -0.563 . . . . 0.38 110.242 -178.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.39 -165.16 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.973 -0.558 . . . . 3.05 111.505 178.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.593 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -58.62 -47.82 83.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.795 -0.639 . . . . 1.5 111.666 -176.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.469 HG22 ' H ' ' A' ' 28' ' ' ALA . 20.0 mt 74.41 91.41 0.06 OUTLIER Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.83 -0.623 . . . . 1.26 110.855 -177.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.65 -2.42 12.64 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.647 2.231 . . . . 1.29 111.137 175.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' A' ' 4' ' ' HIS . 4.7 m -78.56 -29.15 46.16 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.087 -0.961 . . . . 1.43 110.613 178.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.469 ' H ' HG22 ' A' ' 25' ' ' ILE . . . -123.17 -4.12 8.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 1.34 111.226 -178.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 65.16 51.3 1.67 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.383 0.611 . . . . 2.21 111.353 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 49.3 m0 -104.79 174.47 5.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.519 -0.764 . . . . 1.12 110.053 175.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -122.2 41.58 1.81 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.7 -0.762 . . . . 1.67 113.188 -176.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.593 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 69.52 112.38 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.527 0.68 . . . . 1.16 111.853 175.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 24.5 ptp -157.03 151.66 25.56 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.902 -0.59 . . . . 1.47 110.47 -176.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 32.7 m -88.62 106.52 18.37 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.911 -0.586 . . . . 1.15 110.259 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 77.7 mtp -120.15 163.12 18.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.528 -0.76 . . . . 2.01 111.335 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.73 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 35.3 tt0 -99.54 133.3 44.06 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.25 178.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -112.62 120.74 42.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.727 0.298 . . . . 0.43 110.414 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.855 ' HA ' ' HB3' ' A' ' 17' ' ' SER . . . -76.28 136.6 39.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.924 -0.58 . . . . 1.12 110.646 -178.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.84 153.53 37.68 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.553 -0.294 . . . . 1.22 110.394 -177.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -62.96 151.09 86.39 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.159 1.906 . . . . 1.49 110.675 171.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -57.87 -11.95 10.89 Favored 'Trans proline' 0 N--CA 1.474 0.341 0 C-N-CA 123.086 2.524 . . . . 2.4 112.515 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.81 -26.87 67.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.768 -0.651 . . . . 1.64 111.03 176.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 99.85 171.53 30.16 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.994 -0.622 . . . . 1.0 113.355 174.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.502 ' HG ' HD11 ' A' ' 18' ' ' LEU . 2.9 mm? -96.92 150.26 36.66 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 120.904 0.383 . . . . 1.53 111.062 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.712 ' HD2' HD22 ' A' ' 48' ' ' LEU . 6.0 Cg_exo -73.79 -165.41 0.25 Allowed 'Trans proline' 0 CA--C 1.52 -0.221 0 C-N-CA 123.627 2.884 . . . . 0.92 111.801 170.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.567 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 0.6 OUTLIER -110.21 154.06 23.9 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.397 -0.82 . . . . 2.23 110.11 179.21 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.16 20.49 20.52 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.765 -0.731 . . . . 0.67 111.961 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.712 HD22 ' HD2' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -136.87 47.47 2.14 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.876 0.37 . . . . 1.65 111.699 -177.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.556 ' HG2' ' OD2' ' A' ' 52' ' ' ASP . 9.8 ptpp? -95.61 169.21 10.19 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.608 -0.516 . . . . 3.53 109.608 -177.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.24 113.93 1.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.83 0.347 . . . . 1.1 110.727 178.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.56 -23.22 10.44 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.918 -0.658 . . . . 0.38 112.497 -177.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.556 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 8.7 m-20 -74.14 155.09 38.79 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 121.645 0.735 . . . . 0.53 110.902 -177.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HD3' ' HA ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -110.69 116.61 31.61 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.109 -0.95 . . . . 3.72 108.474 174.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.572 HG22 HD13 ' A' ' 10' ' ' ILE . 15.6 m -124.19 150.42 28.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-O 121.046 0.451 . . . . 1.11 111.442 -174.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.31 120.23 41.9 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.588 -0.893 . . . . 1.03 108.588 174.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.539 ' HB3' HG21 ' A' ' 71' ' ' VAL . 47.7 p90 -139.19 171.71 13.89 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.799 0.666 . . . . 0.43 112.799 -169.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.485 ' HA ' ' HA ' ' A' ' 5' ' ' ARG . 44.5 p -126.01 147.67 49.48 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.842 -1.072 . . . . 1.47 109.318 175.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.445 ' HA ' HG23 ' A' ' 69' ' ' VAL . 30.3 p90 -147.56 155.39 41.79 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.66 0.266 . . . . 0.5 110.827 -177.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -104.38 160.64 14.74 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.944 -0.391 . . . . 3.57 109.944 175.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.453 ' HA ' ' O ' ' A' ' 65' ' ' MET . 18.2 mt -125.53 114.41 18.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.942 -0.572 . . . . 1.59 110.656 173.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.701 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 59.9 m-20 -79.97 164.66 51.74 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 108.607 -0.886 . . . . 1.87 108.607 176.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.416 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 16.9 Cg_exo -67.85 0.97 3.67 Favored 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 122.898 2.399 . . . . 1.81 113.524 -170.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -105.25 -8.25 18.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.215 0.531 . . . . 2.88 110.562 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.09 31.45 7.27 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.498 -0.774 . . . . 1.2 111.281 -175.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.701 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 82.7 mmm -87.81 124.12 33.3 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.92 -0.4 . . . . 3.17 109.92 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -106.61 107.2 18.1 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.947 -0.569 . . . . 1.18 109.628 -175.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.1 120.74 43.44 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.088 -0.505 . . . . 1.4 110.873 -175.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.33 116.67 14.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.773 -0.649 . . . . 1.82 109.367 -178.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.445 HG23 ' HA ' ' A' ' 58' ' ' PHE . 24.0 t -88.21 -66.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.03 0.443 . . . . 1.61 110.436 -177.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.4 p -138.0 143.54 40.67 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.029 -0.532 . . . . 1.12 109.94 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.539 HG21 ' HB3' ' A' ' 56' ' ' PHE . 7.3 p -135.81 129.97 48.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.057 0.456 . . . . 1.09 110.232 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -118.44 139.06 26.4 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 116.11 -0.495 . . . . 1.07 110.23 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -64.06 107.7 0.83 Allowed 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.539 2.16 . . . . 1.22 112.374 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -99.94 178.56 4.77 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.502 -0.925 . . . . 1.45 108.502 174.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.8 p . . . . . 0 C--N 1.308 -1.199 0 CA-C-O 121.735 0.778 . . . . 2.35 109.555 -176.408 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo . . . . . 0 C--O 1.233 0.247 0 CA-C-O 121.247 0.436 . . . . 1.39 112.892 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -90.86 129.73 36.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.462 -0.79 . . . . 1.13 110.289 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.444 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 89.1 m-70 -125.88 141.66 51.88 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.569 -0.287 . . . . 0.64 110.573 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.653 ' HD3' ' OG ' ' A' ' 57' ' ' SER . 46.5 mmt-85 -67.99 145.15 54.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.853 -0.612 . . . . 2.93 110.298 177.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.416 ' HB1' ' CE2' ' A' ' 56' ' ' PHE . . . -153.47 136.7 15.67 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 120.728 0.299 . . . . 1.12 110.685 175.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.582 ' HB ' HE22 ' A' ' 74' ' ' GLN . 35.0 m -120.11 152.26 22.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.703 -0.48 . . . . 1.05 109.703 175.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.621 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 178.77 -170.67 42.66 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.331 -0.938 . . . . 0.28 112.544 179.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.4 ttt-85 -116.07 130.52 56.85 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.64 -0.504 . . . . 3.71 109.64 -177.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.495 HD11 ' CG2' ' A' ' 54' ' ' VAL . 31.0 mm -62.86 134.12 28.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.173 -0.467 . . . . 1.06 110.652 -177.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -99.18 -47.1 5.32 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.0 -0.545 . . . . 1.15 109.831 -178.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.0 m -161.67 151.28 16.5 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.438 -0.578 . . . . 1.05 109.438 176.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.722 HD12 ' HA ' ' A' ' 49' ' ' LYS . 52.5 mt -101.27 137.1 30.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.21 0.528 . . . . 1.42 111.318 178.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.708 ' H ' ' HB3' ' A' ' 18' ' ' LEU . . . -126.64 160.98 21.01 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.999 -0.84 . . . . 1.06 110.999 173.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -62.73 -40.14 96.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.012 0.434 . . . . 2.55 111.944 -175.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.95 -12.64 8.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.275 -0.421 . . . . 4.52 111.706 -176.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.459 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 1.9 p -157.05 141.42 16.55 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.217 -0.447 . . . . 1.27 110.036 178.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.708 ' HB3' ' H ' ' A' ' 14' ' ' GLY . 0.5 OUTLIER -139.27 139.64 37.43 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.025 0.441 . . . . 1.62 110.833 -177.581 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.883 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 15.7 mt -85.05 130.59 35.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.949 -0.569 . . . . 1.26 110.236 -174.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.9 mt -130.04 122.51 54.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.107 -0.497 . . . . 1.07 110.536 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.596 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -74.33 90.9 2.16 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.35 -0.611 . . . . 1.1 109.35 173.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.621 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 26.6 p80 -87.02 155.66 20.07 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.853 -0.612 . . . . 0.38 110.326 -178.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -66.55 -166.35 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.892 -0.594 . . . . 3.05 110.953 177.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.574 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -60.01 -45.47 92.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.981 -0.554 . . . . 1.5 111.242 -179.634 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.502 HG22 ' H ' ' A' ' 28' ' ' ALA . 44.9 mt 74.09 94.21 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.015 -0.539 . . . . 1.26 111.091 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.78 -17.4 29.29 Favored 'Trans proline' 0 CA--C 1.527 0.17 0 C-N-CA 122.431 2.088 . . . . 1.29 111.797 178.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.444 ' CB ' ' HB3' ' A' ' 4' ' ' HIS . 14.6 m -72.29 -29.68 64.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.712 -0.676 . . . . 1.43 111.028 -179.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.502 ' H ' HG22 ' A' ' 25' ' ' ILE . . . -114.02 -1.37 13.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.33 -0.396 . . . . 1.34 110.627 -179.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 59.46 35.44 22.9 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.37 -0.832 . . . . 2.21 111.302 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 47.4 m0 -89.2 173.74 8.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.039 -0.528 . . . . 1.12 110.605 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.32 35.52 3.6 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.701 -0.762 . . . . 1.67 113.232 -176.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.574 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 69.43 127.3 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.281 0.632 . . . . 1.16 112.448 176.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 15.0 ptt? -171.82 147.96 2.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.658 -0.701 . . . . 1.47 110.346 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.596 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 6.7 m -78.51 102.23 7.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.03 -0.532 . . . . 1.15 109.893 179.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 37.9 ttm -123.72 143.9 50.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.364 -0.38 . . . . 2.01 111.352 -174.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.883 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 45.0 tt0 -83.94 133.32 34.71 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.552 -0.749 . . . . 1.0 110.745 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -110.7 145.35 38.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.237 -0.438 . . . . 0.43 110.118 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.617 ' HB1' HG23 ' A' ' 67' ' ' THR . . . -82.68 142.5 31.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.518 -0.31 . . . . 1.12 110.201 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.75 142.51 98.2 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.561 -0.29 . . . . 1.22 111.148 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.19 153.53 52.14 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.717 2.278 . . . . 1.49 111.529 176.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -61.87 -16.12 47.3 Favored 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 122.807 2.338 . . . . 2.4 112.785 -177.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.97 -15.89 31.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.239 -0.437 . . . . 1.64 111.021 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 112.91 -172.55 14.58 Favored Glycine 0 N--CA 1.44 -1.057 0 C-N-CA 120.9 -0.667 . . . . 1.0 111.629 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.1 mt -109.03 137.3 20.1 Favored Pre-proline 0 C--N 1.314 -0.937 0 CA-C-O 121.085 0.469 . . . . 1.53 111.335 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.64 ' HD2' HD23 ' A' ' 48' ' ' LEU . 71.7 Cg_endo -85.47 -166.61 0.35 Allowed 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 123.444 2.763 . . . . 0.92 111.787 173.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.575 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 0.6 OUTLIER -117.47 146.15 43.7 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.45 -0.796 . . . . 2.23 110.183 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.87 15.43 9.29 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.941 -0.647 . . . . 0.67 111.707 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.64 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.4 OUTLIER -134.05 45.65 2.6 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 111.693 0.256 . . . . 1.65 111.693 -175.794 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.722 ' HA ' HD12 ' A' ' 13' ' ' ILE . 18.6 ptpt -95.61 164.23 12.87 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.304 -0.559 . . . . 3.53 111.134 -175.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.87 110.08 0.32 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.582 -0.735 . . . . 1.1 111.848 -177.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.63 -9.69 12.81 Favored Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.572 -0.823 . . . . 0.38 112.736 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -93.65 157.94 15.93 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 121.09 0.472 . . . . 0.53 111.1 177.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -108.89 127.76 54.32 Favored 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 108.677 -0.861 . . . . 3.72 108.677 171.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.524 HG13 ' HA ' ' A' ' 73' ' ' PRO . 10.7 m -130.15 154.55 40.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.421 -0.354 . . . . 1.11 110.619 -177.099 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.512 ' HB2' ' HG3' ' A' ' 74' ' ' GLN . . . -108.32 122.36 46.81 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.922 -0.77 . . . . 1.03 108.922 175.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.689 ' HB3' HG21 ' A' ' 71' ' ' VAL . 47.0 p90 -142.1 -177.06 5.05 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.542 -0.299 . . . . 0.43 110.958 -172.093 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.653 ' OG ' ' HD3' ' A' ' 5' ' ' ARG . 28.8 m -139.36 -176.91 4.69 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 109.229 -0.656 . . . . 1.47 109.229 167.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -162.28 158.16 23.86 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 120.709 0.29 . . . . 0.5 110.237 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.4 mtm180 -105.73 139.49 40.23 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.67 -0.863 . . . . 3.57 108.67 172.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' A' ' 60' ' ' LEU . 11.4 mt -89.5 115.97 27.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.175 0.512 . . . . 1.59 110.648 178.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.97 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 1.4 m-20 -86.55 164.43 37.63 Favored Pre-proline 0 C--N 1.315 -0.916 0 CA-C-N 115.419 -0.81 . . . . 1.87 108.941 178.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.454 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 35.1 Cg_exo -59.99 -18.83 52.5 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 123.214 2.609 . . . . 1.81 114.589 -165.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.477 ' HB2' ' SD ' ' A' ' 65' ' ' MET . 12.3 m-70 -90.67 -1.6 57.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.928 0.394 . . . . 2.88 111.605 -178.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.51 28.62 21.52 Favored Glycine 0 C--N 1.314 -0.678 0 N-CA-C 109.524 -1.43 . . . . 1.2 109.524 -171.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.97 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 44.5 mtp -84.04 144.86 28.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.424 -0.888 . . . . 3.17 109.506 -177.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -119.37 97.99 5.93 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.265 -0.643 . . . . 1.18 109.265 -175.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.617 HG23 ' HB1' ' A' ' 38' ' ' ALA . 2.9 m -98.61 118.58 35.64 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 115.381 -0.827 . . . . 1.4 110.616 -175.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 44.5 tp -62.81 127.71 32.51 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.628 -0.715 . . . . 1.82 110.52 -176.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.637 HG21 ' C ' ' A' ' 57' ' ' SER . 15.2 m -97.68 -58.48 3.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.907 -0.588 . . . . 1.61 111.339 -178.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.604 ' H ' HG23 ' A' ' 69' ' ' VAL . 4.2 p -147.33 139.56 24.5 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.574 -0.739 . . . . 1.12 109.318 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.689 HG21 ' HB3' ' A' ' 56' ' ' PHE . 11.5 p -135.42 140.31 45.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.825 0.345 . . . . 1.09 110.408 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -133.84 138.12 30.12 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 116.259 -0.428 . . . . 1.07 110.205 176.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.524 ' HA ' HG13 ' A' ' 54' ' ' VAL . 78.3 Cg_exo -52.5 113.95 1.45 Allowed 'Trans proline' 0 CA--C 1.532 0.415 0 C-N-CA 123.072 2.515 . . . . 1.22 112.691 179.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.582 HE22 ' HB ' ' A' ' 7' ' ' VAL . 0.5 OUTLIER -89.59 173.63 8.21 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.041 -0.527 . . . . 1.45 110.207 178.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.324 -0.507 0 N-CA-C 109.324 -0.621 . . . . 2.35 109.324 174.672 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo . . . . . 0 C--O 1.235 0.34 0 CA-C-O 121.311 0.463 . . . . 1.39 112.973 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -95.83 121.88 38.02 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.059 -0.973 . . . . 1.13 109.597 179.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.41 ' HB3' ' OG ' ' A' ' 27' ' ' SER . 67.0 m-70 -122.97 125.81 45.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.181 -0.463 . . . . 0.64 110.023 -176.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.822 ' HG2' ' HB2' ' A' ' 57' ' ' SER . 75.0 mtt180 -75.42 141.54 43.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.833 0.349 . . . . 2.93 110.726 176.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -146.99 144.47 29.19 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.405 -0.816 . . . . 1.12 110.697 -178.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.6 m -111.97 152.07 13.89 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 115.904 -0.589 . . . . 1.05 110.419 175.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.451 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 178.77 -166.96 37.03 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.373 -0.918 . . . . 0.28 112.301 178.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.405 ' HA ' ' HA ' ' A' ' 53' ' ' ARG . 62.7 ttt180 -123.11 136.1 54.65 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.377 -0.601 . . . . 3.71 109.377 -178.354 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.574 HD12 HG23 ' A' ' 54' ' ' VAL . 30.9 mm -67.53 133.27 31.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.906 0.384 . . . . 1.06 110.11 -176.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.572 ' HG2' HG21 ' A' ' 34' ' ' THR . 2.9 tp-100 -93.69 -49.72 5.72 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.91 -0.587 . . . . 1.15 109.656 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.536 ' HA ' ' HB3' ' A' ' 50' ' ' ALA . 43.5 m -161.66 153.03 18.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.979 -0.555 . . . . 1.05 110.114 177.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.796 HG23 HD21 ' A' ' 18' ' ' LEU . 42.9 mt -99.82 134.03 40.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.733 0.301 . . . . 1.42 110.301 177.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 17' ' ' SER . . . -102.29 -150.84 23.34 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 121.249 -0.501 . . . . 1.06 111.958 178.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -100.75 -36.99 8.91 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.409 0.623 . . . . 2.55 109.84 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.21 3.35 2.86 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.305 -0.861 . . . . 4.52 110.55 178.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.413 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 8.3 p -155.29 147.81 24.07 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.587 -0.733 . . . . 1.27 109.711 179.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.796 HD21 HG23 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -124.59 145.95 49.32 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 109.53 -0.544 . . . . 1.62 109.53 179.477 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.608 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 20.3 mt -92.6 129.83 42.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 N-CA-C 109.459 -0.571 . . . . 1.26 109.459 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 54.3 mt -129.47 128.5 66.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.315 -0.402 . . . . 1.07 111.052 -176.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.516 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -77.87 94.41 4.54 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.281 -0.637 . . . . 1.1 109.281 171.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.451 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 25.6 p80 -96.77 153.77 17.68 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.275 -0.42 . . . . 0.38 111.193 -176.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -63.59 -169.51 0.03 OUTLIER 'General case' 0 C--O 1.239 0.517 0 CA-C-N 115.249 -0.887 . . . . 3.05 111.381 175.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.54 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -63.85 -32.09 73.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.01 -0.541 . . . . 1.5 111.534 -176.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.444 HD13 ' CE3' ' A' ' 30' ' ' TRP . 52.9 mt 67.86 86.15 0.13 Allowed Pre-proline 0 C--N 1.321 -0.648 0 CA-C-O 121.037 0.446 . . . . 1.26 110.145 -178.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -72.56 -3.18 12.98 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.89 2.393 . . . . 1.29 112.065 -177.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.41 ' OG ' ' HB3' ' A' ' 4' ' ' HIS . 6.1 p -90.82 -21.23 21.59 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.121 -0.49 . . . . 1.43 110.731 178.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -117.42 -7.45 11.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.411 -0.358 . . . . 1.34 111.239 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 62.86 42.26 7.97 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.991 -0.55 . . . . 2.21 111.623 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.444 ' CE3' HD13 ' A' ' 25' ' ' ILE . 48.3 m0 -92.8 173.94 7.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.159 -0.473 . . . . 1.12 109.795 175.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.65 29.38 6.95 Favored Glycine 0 C--N 1.32 -0.354 0 C-N-CA 120.197 -1.001 . . . . 1.67 113.611 -174.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.54 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 68.53 123.79 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.126 0.571 . . . . 1.16 112.05 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.617 ' HE1' ' SD ' ' A' ' 35' ' ' MET . 17.2 ptt? -172.14 152.79 2.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.792 -0.64 . . . . 1.47 110.786 -178.078 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.572 HG21 ' HG2' ' A' ' 11' ' ' GLN . 46.4 m -82.56 105.22 13.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.013 -0.539 . . . . 1.15 110.446 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.617 ' SD ' ' HE1' ' A' ' 33' ' ' MET . 81.3 mtp -120.36 164.69 15.95 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 116.082 -0.508 . . . . 2.01 111.88 -177.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.608 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 41.0 tt0 -101.95 131.35 48.4 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.441 -0.799 . . . . 1.0 110.444 179.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -115.41 140.54 49.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.43 110.337 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.63 149.34 27.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.211 -0.45 . . . . 1.12 110.998 -176.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.91 134.77 95.15 Favored Pre-proline 0 C--O 1.236 0.379 0 CA-C-N 116.423 -0.353 . . . . 1.22 111.825 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.28 157.84 38.36 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 123.075 2.517 . . . . 1.49 111.975 175.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -63.9 -8.6 16.29 Favored 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 122.806 2.337 . . . . 2.4 112.958 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.93 -15.86 25.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.477 -0.329 . . . . 1.64 111.502 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.14 174.88 26.44 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 120.942 -0.646 . . . . 1.0 111.545 -177.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.416 HD11 HD22 ' A' ' 18' ' ' LEU . 66.3 mt -104.69 133.52 20.13 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-O 120.88 0.371 . . . . 1.53 111.292 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.471 ' HD2' HD23 ' A' ' 48' ' ' LEU . 84.1 Cg_endo -83.15 -173.09 1.55 Allowed 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 123.496 2.798 . . . . 0.92 111.987 175.124 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -98.48 157.37 16.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.301 -0.409 . . . . 2.23 110.776 172.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.23 14.58 27.99 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.787 -0.721 . . . . 0.67 111.709 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.745 HD21 HG12 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -127.48 46.75 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.761 0.315 . . . . 1.65 111.116 179.569 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.547 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 7.1 ptpp? -95.3 164.4 12.85 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.725 -0.39 . . . . 3.53 110.395 -173.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.536 ' HB3' ' HA ' ' A' ' 12' ' ' SER . . . -54.14 103.17 0.07 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.701 -0.681 . . . . 1.1 110.543 176.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 125.97 -20.67 6.32 Favored Glycine 0 N--CA 1.442 -0.956 0 C-N-CA 120.86 -0.686 . . . . 0.38 112.549 -178.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.529 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 62.8 m-20 -80.49 146.39 31.39 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 116.964 0.382 . . . . 0.53 110.709 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.405 ' HA ' ' HA ' ' A' ' 9' ' ' ARG . 32.8 ttm105 -102.27 122.59 44.51 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.343 -0.614 . . . . 3.72 109.343 172.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.574 HG23 HD12 ' A' ' 10' ' ' ILE . 17.2 m -127.98 153.32 37.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.283 0.563 . . . . 1.11 111.768 -172.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.4 118.92 37.92 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.555 -0.905 . . . . 1.03 108.555 173.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.652 ' HB3' HG23 ' A' ' 71' ' ' VAL . 50.5 p90 -138.3 -179.58 5.88 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.765 0.317 . . . . 0.43 111.176 -171.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.822 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 32.2 t -135.59 -178.28 5.05 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 107.864 -1.161 . . . . 1.47 107.864 168.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -171.66 155.56 4.06 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.785 -0.45 . . . . 0.5 109.785 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -108.62 149.13 29.35 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.928 -0.397 . . . . 3.57 109.928 178.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.8 mt -94.73 105.39 17.33 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.956 -0.757 . . . . 1.59 108.956 166.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.639 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 22.1 m-20 -77.61 160.0 75.72 Favored Pre-proline 0 C--N 1.314 -0.953 0 N-CA-C 108.553 -0.906 . . . . 1.87 108.553 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -66.82 1.42 2.76 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 123.205 2.604 . . . . 1.81 113.952 -169.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -102.83 2.84 35.99 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.026 0.441 . . . . 2.88 110.655 176.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.54 34.07 29.47 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.276 -1.13 . . . . 1.2 110.276 -174.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.639 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 92.2 mmm -96.5 147.72 23.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.108 -0.546 . . . . 3.17 110.253 -177.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.94 97.4 5.67 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.631 -0.878 . . . . 1.18 108.631 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.4 m -110.41 123.67 50.31 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.592 -0.731 . . . . 1.4 111.12 -172.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.6 tp -65.18 136.99 57.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.253 -0.885 . . . . 1.82 109.955 -179.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.606 HG22 ' C ' ' A' ' 57' ' ' SER . 14.1 m -104.44 -57.13 4.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.11 0.481 . . . . 1.61 111.782 -178.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.591 ' H ' HG21 ' A' ' 69' ' ' VAL . 13.8 p -145.42 145.59 31.19 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.822 -0.807 . . . . 1.12 108.822 -178.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.745 HG12 HD21 ' A' ' 48' ' ' LEU . 8.7 p -142.43 137.81 29.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.894 0.378 . . . . 1.09 110.427 -179.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -137.12 137.95 24.2 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.232 -0.44 . . . . 1.07 110.682 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -61.4 126.37 19.09 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.725 2.283 . . . . 1.22 111.716 177.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.508 ' HG2' ' C ' ' A' ' 54' ' ' VAL . 1.8 pt20 -128.27 175.75 8.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.307 0.575 . . . . 1.45 111.154 -176.12 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.5 m . . . . . 0 C--N 1.319 -0.732 0 CA-C-N 115.629 -0.714 . . . . 2.35 110.928 -176.835 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo . . . . . 0 C--O 1.237 0.457 0 CA-C-O 121.184 0.41 . . . . 1.39 112.816 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -99.49 133.88 43.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.613 -0.721 . . . . 1.13 109.921 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.555 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 83.5 m-70 -125.54 148.17 49.0 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.28 -0.267 . . . . 0.64 110.28 -178.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.593 ' HD3' ' HB3' ' A' ' 57' ' ' SER . 26.8 mmt180 -79.69 143.67 34.39 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 110.065 -0.346 . . . . 2.93 110.065 178.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -153.13 139.38 18.44 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.871 0.367 . . . . 1.12 110.741 177.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.511 HG21 ' HG3' ' A' ' 23' ' ' GLU . 28.0 m -117.28 149.23 19.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.458 -0.337 . . . . 1.05 110.233 176.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.419 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -173.56 -166.14 31.41 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.433 -0.889 . . . . 0.28 112.779 177.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -121.25 147.49 45.56 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.167 -0.308 . . . . 3.71 110.167 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.551 HD13 HG22 ' A' ' 54' ' ' VAL . 34.9 mm -83.38 128.97 38.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.455 -0.339 . . . . 1.06 111.415 -178.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 -92.7 -50.82 5.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.0 0.429 . . . . 1.15 110.116 173.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.1 m -160.16 150.57 18.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.788 -0.642 . . . . 1.05 109.934 177.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.662 HD13 ' HA ' ' A' ' 49' ' ' LYS . 76.4 mt -99.25 144.11 12.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.192 -0.458 . . . . 1.42 110.67 -179.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.662 ' H ' ' HB3' ' A' ' 18' ' ' LEU . . . -128.25 160.48 22.02 Favored Glycine 0 N--CA 1.44 -1.051 0 N-CA-C 110.949 -0.86 . . . . 1.06 110.949 175.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -68.55 -33.74 74.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.056 0.455 . . . . 2.55 110.896 -176.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.411 ' HD2' ' H ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -115.5 -25.49 7.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.028 -0.533 . . . . 4.52 110.504 -176.844 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.502 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 17.9 p -158.15 149.05 20.78 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.028 -0.533 . . . . 1.27 110.182 -178.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.662 ' HB3' ' H ' ' A' ' 14' ' ' GLY . 0.7 OUTLIER -140.01 160.16 40.56 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.181 -0.463 . . . . 1.62 110.778 -176.88 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.601 HG22 HG22 ' A' ' 34' ' ' THR . 8.1 mt -103.25 130.92 52.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.218 -0.447 . . . . 1.26 111.024 -173.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.452 HG12 HD11 ' A' ' 10' ' ' ILE . 88.0 mt -132.87 120.91 43.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.288 -0.869 . . . . 1.07 110.475 -178.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.662 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -72.86 91.23 1.5 Allowed 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.133 -0.691 . . . . 1.1 109.133 170.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.419 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 28.8 p80 -84.76 154.26 22.51 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.585 -0.734 . . . . 0.38 110.432 -178.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.511 ' HG3' HG21 ' A' ' 7' ' ' VAL . 5.6 mm-40 -63.94 -170.54 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.395 -0.82 . . . . 3.05 110.326 174.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.77 -43.73 98.27 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.053 -0.521 . . . . 1.5 110.91 -178.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 51.9 mt 71.95 90.06 0.08 OUTLIER Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 115.619 -0.719 . . . . 1.26 111.144 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -66.45 -19.15 55.31 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.585 2.19 . . . . 1.29 111.334 176.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.555 ' HB3' ' HB3' ' A' ' 4' ' ' HIS . 3.4 m -61.02 -30.92 70.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.343 -0.844 . . . . 1.43 111.457 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.99 2.23 9.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.294 -0.412 . . . . 1.34 111.371 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 60.18 36.77 20.95 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.325 0.583 . . . . 2.21 110.9 -178.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 31.4 m0 -94.42 175.23 6.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.512 -0.767 . . . . 1.12 111.462 -178.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -104.68 167.27 15.3 Favored Glycine 0 N--CA 1.442 -0.958 0 CA-C-N 115.212 -0.904 . . . . 1.67 111.231 171.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.0 119.98 20.7 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.761 0.315 . . . . 1.16 110.271 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -163.25 152.8 15.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.368 0.604 . . . . 1.47 111.739 -175.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.662 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 3.4 m -79.18 109.02 13.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.005 -0.998 . . . . 1.15 110.231 179.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 72.5 mtp -125.62 164.68 20.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.171 -0.468 . . . . 2.01 112.221 -179.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -101.11 137.23 39.74 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.379 -0.828 . . . . 1.0 110.499 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -117.53 131.13 56.75 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.491 -0.559 . . . . 0.43 109.491 176.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.6 ' HB1' HG22 ' A' ' 67' ' ' THR . . . -70.81 131.22 43.49 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.906 -0.405 . . . . 1.12 109.906 178.185 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.1 145.61 65.59 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 116.343 -0.39 . . . . 1.22 111.089 -176.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -61.77 152.73 72.44 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.36 2.04 . . . . 1.49 110.973 175.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.89 -16.74 40.03 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.995 2.463 . . . . 2.4 112.55 -177.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.75 -28.88 62.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.175 -0.466 . . . . 1.64 110.813 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 109.4 -176.17 19.39 Favored Glycine 0 N--CA 1.44 -1.073 0 N-CA-C 111.352 -0.699 . . . . 1.0 111.352 -178.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.468 ' HG ' ' CD2' ' A' ' 18' ' ' LEU . 2.7 mm? -101.12 141.59 22.92 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-O 120.635 0.255 . . . . 1.53 111.02 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.569 ' HD2' HD22 ' A' ' 48' ' ' LEU . 57.2 Cg_endo -78.09 -168.34 0.6 Allowed 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 123.034 2.489 . . . . 0.92 112.131 174.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.632 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -108.6 151.32 26.28 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.812 -0.631 . . . . 2.23 110.288 179.544 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.36 15.1 22.32 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 116.133 -0.485 . . . . 0.67 112.3 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.569 HD22 ' HD2' ' A' ' 45' ' ' PRO . 0.4 OUTLIER -133.19 53.1 2.04 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.953 0.406 . . . . 1.65 111.613 -177.29 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.662 ' HA ' HD13 ' A' ' 13' ' ' ILE . 32.7 mmtp -93.75 162.35 13.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.505 -0.316 . . . . 3.53 110.608 -175.218 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.91 112.2 0.49 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.045 -0.525 . . . . 1.1 110.815 174.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.62 -11.87 25.53 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.675 -0.774 . . . . 0.38 112.768 -178.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -86.15 155.07 20.91 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 121.101 0.477 . . . . 0.53 110.796 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.546 ' HG2' ' NE2' ' A' ' 74' ' ' GLN . 19.8 ttt85 -106.28 127.97 53.63 Favored 'General case' 0 N--CA 1.435 -1.175 0 N-CA-C 108.181 -1.044 . . . . 3.72 108.181 170.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.551 HG22 HD13 ' A' ' 10' ' ' ILE . 12.5 m -128.81 144.69 37.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.007 0.432 . . . . 1.11 111.48 -174.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.609 ' HB1' ' HG3' ' A' ' 74' ' ' GLN . . . -105.83 120.91 42.93 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.847 -0.797 . . . . 1.03 108.847 175.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.537 ' HB3' HG21 ' A' ' 71' ' ' VAL . 41.9 p90 -138.14 179.14 6.62 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.43 0.634 . . . . 0.43 112.071 -171.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.593 ' HB3' ' HD3' ' A' ' 5' ' ' ARG . 12.1 p -138.32 142.65 39.74 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.153 -0.93 . . . . 1.47 109.631 171.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -130.77 155.76 46.12 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.975 -0.557 . . . . 0.5 109.839 -177.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.614 ' HG3' HG23 ' A' ' 69' ' ' VAL . 76.2 mtt180 -107.33 137.39 45.46 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.856 0.36 . . . . 3.57 110.477 177.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.431 HD21 ' O ' ' A' ' 65' ' ' MET . 16.4 mt -103.68 127.44 51.14 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.487 -0.779 . . . . 1.59 110.554 178.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.472 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 1.6 m-20 -92.22 167.31 15.24 Favored Pre-proline 0 C--N 1.319 -0.75 0 N-CA-C 109.204 -0.665 . . . . 1.87 109.204 172.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.472 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 13.3 Cg_exo -68.42 -4.82 13.66 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.969 2.446 . . . . 1.81 111.735 -174.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.571 ' HB2' ' HG3' ' A' ' 65' ' ' MET . 82.7 m-70 -88.74 -12.6 41.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.28 -0.873 . . . . 2.88 109.988 177.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.96 32.94 16.39 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.102 -0.954 . . . . 1.2 110.966 -175.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.571 ' HG3' ' HB2' ' A' ' 63' ' ' HIS . 43.6 mtm -95.72 142.22 28.27 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 109.509 -0.552 . . . . 3.17 109.509 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.84 105.56 11.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.256 0.55 . . . . 1.18 110.04 -174.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.6 HG22 ' HB1' ' A' ' 38' ' ' ALA . 1.4 m -108.62 126.84 53.4 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.645 -0.707 . . . . 1.4 110.312 -177.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.46 130.79 40.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.105 -0.498 . . . . 1.82 109.661 -177.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.614 HG23 ' HG3' ' A' ' 59' ' ' ARG . 12.6 t -107.0 -67.36 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.063 0.458 . . . . 1.61 110.728 -178.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.7 p -132.05 130.72 41.67 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.142 -0.481 . . . . 1.12 110.881 -178.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.537 HG21 ' HB3' ' A' ' 56' ' ' PHE . 7.2 p -130.79 132.96 63.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.249 -0.432 . . . . 1.09 110.42 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -123.39 142.01 37.65 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.091 -0.504 . . . . 1.07 110.137 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -54.23 110.88 0.57 Allowed 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.859 2.373 . . . . 1.22 112.7 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.609 ' HG3' ' HB1' ' A' ' 55' ' ' ALA . 1.7 tt0 -81.79 173.82 11.92 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.819 -0.628 . . . . 1.45 109.829 176.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.4 m . . . . . 0 C--N 1.317 -0.819 0 CA-C-N 115.83 -0.623 . . . . 2.35 109.447 178.72 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo . . . . . 0 C--O 1.236 0.381 0 CA-C-O 121.174 0.406 . . . . 1.39 113.113 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -90.43 120.93 31.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.432 -0.804 . . . . 1.13 110.762 -176.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.505 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 26.2 m-70 -118.29 127.45 53.73 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.504 -0.554 . . . . 0.64 109.504 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.584 ' HG2' ' HB2' ' A' ' 57' ' ' SER . 59.2 mtt180 -77.83 150.49 34.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.017 0.437 . . . . 2.93 111.75 176.098 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.428 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . . . -158.34 150.01 21.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.55 -0.75 . . . . 1.12 110.864 177.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.3 m -115.55 150.59 17.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.232 -0.44 . . . . 1.05 110.387 175.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.494 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -174.67 -175.56 42.29 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.307 -0.949 . . . . 0.28 112.379 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.4 ttp85 -115.36 130.76 56.99 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.98 -0.748 . . . . 3.71 108.98 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.649 HD12 HG21 ' A' ' 54' ' ' VAL . 49.1 mm -64.05 126.91 23.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 116.164 -0.471 . . . . 1.06 110.957 -176.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -89.02 -53.08 4.75 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.716 -0.675 . . . . 1.15 109.571 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.0 m -160.67 147.82 15.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.271 -0.422 . . . . 1.05 110.3 176.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.708 HD12 ' HA ' ' A' ' 49' ' ' LYS . 80.4 mt -97.11 131.71 43.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.064 0.459 . . . . 1.42 110.676 178.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -96.3 -149.63 25.85 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.55 -0.75 . . . . 1.06 111.631 177.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.631 ' HG2' ' HG3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -107.12 -39.24 5.77 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.198 0.523 . . . . 2.55 109.949 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.631 ' HG3' ' HG2' ' A' ' 15' ' ' GLU . 98.8 mtt180 -121.49 -2.45 9.46 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 115.53 -0.759 . . . . 4.52 110.19 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.458 ' HG ' ' HG2' ' A' ' 36' ' ' GLU . 3.5 t -155.29 -177.78 6.79 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 108.038 -1.097 . . . . 1.27 108.038 -175.277 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.414 ' HB3' ' HA ' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -165.28 145.99 7.19 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 120.849 0.357 . . . . 1.62 110.608 176.318 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.637 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 16.3 mt -93.32 127.59 45.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.822 -0.626 . . . . 1.26 109.745 -176.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.4 mt -126.72 121.8 59.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.021 -0.536 . . . . 1.07 110.381 -176.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.628 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -72.79 93.79 1.72 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.528 -0.545 . . . . 1.1 109.528 171.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.494 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 27.6 p80 -94.26 151.97 19.04 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.197 -0.456 . . . . 0.38 111.118 -176.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -71.12 -164.51 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.231 -0.895 . . . . 3.05 111.232 176.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.469 ' O ' ' HD3' ' A' ' 26' ' ' PRO . . . -70.66 116.44 10.98 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.467 -0.788 . . . . 1.5 110.375 176.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.54 ' HB ' ' HB2' ' A' ' 30' ' ' TRP . 58.6 mt -100.05 100.21 11.0 Favored Pre-proline 0 C--N 1.312 -1.064 0 CA-C-N 114.977 -1.01 . . . . 1.26 110.19 177.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.469 ' HD3' ' O ' ' A' ' 24' ' ' ALA . 9.7 Cg_exo -72.33 -11.32 26.62 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.762 2.308 . . . . 1.29 112.435 -178.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.505 ' CB ' ' HB3' ' A' ' 4' ' ' HIS . 1.4 m -76.21 -36.71 58.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.098 0.475 . . . . 1.43 110.876 -179.509 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -118.1 6.16 12.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.079 -0.51 . . . . 1.34 110.844 -178.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 62.84 28.44 16.41 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.542 -0.753 . . . . 2.21 111.28 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.54 ' HB2' ' HB ' ' A' ' 25' ' ' ILE . 45.2 m0 -85.11 109.01 17.95 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.22 -0.659 . . . . 1.12 109.22 178.275 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -90.36 69.64 2.28 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.898 -0.668 . . . . 1.67 113.033 -171.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 55.09 101.94 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.966 0.728 . . . . 1.16 112.966 174.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.622 ' HE2' ' SD ' ' A' ' 35' ' ' MET . 19.6 ptt? -166.83 150.04 6.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.912 -0.585 . . . . 1.47 110.398 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.628 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 25.8 m -78.37 107.24 10.86 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.709 -0.678 . . . . 1.15 110.725 -177.144 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.622 ' SD ' ' HE2' ' A' ' 33' ' ' MET . 91.6 mtp -129.01 162.78 26.84 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 116.137 -0.483 . . . . 2.01 111.477 -178.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.637 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 31.7 tt0 -96.66 147.67 23.65 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.251 -0.886 . . . . 1.0 110.531 -177.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.484 ' HB3' ' HB2' ' A' ' 68' ' ' LEU . 96.4 m-85 -131.45 114.5 15.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.384 -0.371 . . . . 0.43 110.432 -177.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.63 132.41 53.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.765 -0.652 . . . . 1.12 111.372 -177.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.72 145.95 95.26 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.149 -0.478 . . . . 1.22 111.585 -176.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -64.21 152.62 80.47 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.376 2.051 . . . . 1.49 111.005 173.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.57 -14.09 24.32 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.201 2.601 . . . . 2.4 112.924 -177.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.99 -29.58 60.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.315 -0.402 . . . . 1.64 111.122 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.6 179.77 20.42 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.969 -0.634 . . . . 1.0 112.105 -179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.425 HD21 ' N ' ' A' ' 44' ' ' LEU . 2.5 mm? -105.8 142.31 24.52 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-O 120.842 0.353 . . . . 1.53 111.325 -178.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.685 ' HD2' HD22 ' A' ' 48' ' ' LEU . 88.3 Cg_endo -87.18 -172.14 0.86 Allowed 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 123.287 2.658 . . . . 0.92 111.425 170.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.625 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -111.0 148.79 31.79 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.111 -0.495 . . . . 2.23 109.927 175.224 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.84 10.88 11.82 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 111.42 -0.672 . . . . 0.67 111.42 -177.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.685 HD22 ' HD2' ' A' ' 45' ' ' PRO . 0.5 OUTLIER -129.65 47.97 2.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.097 0.475 . . . . 1.65 110.342 -178.833 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.708 ' HA ' HD12 ' A' ' 13' ' ' ILE . 6.8 ptpp? -95.36 170.73 9.17 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.162 -0.472 . . . . 3.53 110.648 -170.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.41 112.97 0.83 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.89 -0.596 . . . . 1.1 111.077 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 106.49 -3.08 36.89 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.658 -0.782 . . . . 0.38 112.541 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.587 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 6.5 m-20 -88.94 153.52 20.97 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 121.039 0.447 . . . . 0.53 110.479 175.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -105.86 121.63 44.45 Favored 'General case' 0 N--CA 1.437 -1.125 0 N-CA-C 108.421 -0.955 . . . . 3.72 108.421 172.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.649 HG21 HD12 ' A' ' 10' ' ' ILE . 16.5 m -125.91 151.6 32.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-O 121.075 0.464 . . . . 1.11 111.221 -177.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.72 118.08 35.59 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.443 -0.947 . . . . 1.03 108.443 175.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.707 ' HB3' HG23 ' A' ' 71' ' ' VAL . 46.1 p90 -133.23 174.58 10.23 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.405 0.621 . . . . 0.43 112.357 -170.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.584 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 5.5 t -143.09 139.77 30.6 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.344 -0.844 . . . . 1.47 108.888 173.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.401 ' HD2' HD21 ' A' ' 60' ' ' LEU . 36.4 p90 -135.46 150.84 49.93 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.093 -0.503 . . . . 0.5 110.402 -174.186 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.671 ' HG3' HG22 ' A' ' 69' ' ' VAL . 42.6 mtm-85 -103.9 133.96 48.0 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.801 0.334 . . . . 3.57 110.383 178.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.656 HD22 ' HA ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -109.72 130.14 55.54 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 115.694 -0.684 . . . . 1.59 110.721 179.802 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.424 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 16.0 m-20 -99.11 165.57 14.63 Favored Pre-proline 0 C--N 1.317 -0.821 0 CA-C-N 116.031 -0.531 . . . . 1.87 109.686 174.22 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.416 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 16.7 Cg_exo -68.43 -7.14 19.38 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 123.161 2.574 . . . . 1.81 111.534 -176.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -85.95 -12.48 50.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.385 -0.825 . . . . 2.88 110.463 177.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.35 18.17 39.99 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.75 -0.94 . . . . 1.2 110.75 -175.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.424 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 77.5 mtp -74.91 118.26 17.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.267 -0.466 . . . . 3.17 109.791 -179.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.656 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -105.48 98.81 8.45 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.399 -0.593 . . . . 1.18 109.399 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.57 121.28 44.74 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.636 -0.711 . . . . 1.4 110.957 -172.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.484 ' HB2' ' HB3' ' A' ' 37' ' ' PHE . 41.5 tp -74.01 131.53 41.48 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.734 -0.469 . . . . 1.82 109.734 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.671 HG22 ' HG3' ' A' ' 59' ' ' ARG . 24.7 t -103.01 -55.18 6.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.024 0.44 . . . . 1.61 110.831 -177.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.7 p -143.13 146.24 33.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.616 -0.72 . . . . 1.12 110.265 -179.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.707 HG23 ' HB3' ' A' ' 56' ' ' PHE . 12.4 p -144.29 132.37 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.941 0.4 . . . . 1.09 110.203 175.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -119.68 140.1 28.95 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 116.28 -0.418 . . . . 1.07 110.327 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.83 115.45 3.26 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.504 2.136 . . . . 1.22 111.779 178.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.543 ' HG3' ' N ' ' A' ' 75' ' ' VAL . 1.8 pt20 -112.86 177.9 4.47 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.788 -0.642 . . . . 1.45 109.732 -177.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.543 ' N ' ' HG3' ' A' ' 74' ' ' GLN . 3.7 p . . . . . 0 C--N 1.313 -0.992 0 CA-C-O 121.574 0.702 . . . . 2.35 110.704 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo . . . . . 0 C--O 1.236 0.42 0 CA-C-O 121.388 0.495 . . . . 1.39 113.234 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -96.33 139.91 31.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.279 -0.873 . . . . 1.13 109.366 176.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -126.4 141.34 51.93 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.114 -0.328 . . . . 0.64 110.114 -177.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.462 ' HA ' ' HD3' ' A' ' 5' ' ' ARG . 2.5 mmt180 -85.01 128.91 34.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.121 -0.491 . . . . 2.93 110.61 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -137.73 128.23 26.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.073 0.463 . . . . 1.12 111.72 -173.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.4 m -110.43 151.75 12.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.092 -0.504 . . . . 1.05 110.473 174.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.577 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -179.06 -162.63 28.73 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.52 -0.847 . . . . 0.28 112.425 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.5 ttp-105 -125.28 133.71 52.55 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.446 -0.575 . . . . 3.71 109.446 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.564 HD11 HG23 ' A' ' 54' ' ' VAL . 41.8 mm -64.98 123.91 18.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.803 0.335 . . . . 1.06 110.412 -177.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -88.21 -53.92 4.46 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.844 -0.616 . . . . 1.15 109.456 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.7 m -159.82 158.73 31.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.767 -0.651 . . . . 1.05 109.249 175.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.856 HD12 ' HA ' ' A' ' 49' ' ' LYS . 69.2 mt -110.95 144.09 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.401 0.62 . . . . 1.42 111.833 -175.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.697 ' H ' ' HB3' ' A' ' 18' ' ' LEU . . . -131.99 160.37 23.57 Favored Glycine 0 N--CA 1.44 -1.05 0 N-CA-C 110.427 -1.069 . . . . 1.06 110.427 171.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -60.74 -42.88 98.23 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 111.833 0.308 . . . . 2.55 111.833 -176.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.84 -4.63 8.6 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.457 -0.497 . . . . 4.52 112.086 -175.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.423 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 10.5 p -157.71 146.26 19.27 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.727 -0.472 . . . . 1.27 109.727 172.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.697 ' HB3' ' H ' ' A' ' 14' ' ' GLY . 1.1 pp -145.41 152.01 39.16 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-O 120.954 0.407 . . . . 1.62 111.207 -178.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.555 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 9.4 mt -98.06 129.54 48.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.689 -0.687 . . . . 1.26 110.289 -174.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 82.1 mt -127.61 123.14 60.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.01 -0.541 . . . . 1.07 110.29 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.523 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -71.73 90.9 1.09 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.042 -0.725 . . . . 1.1 109.042 171.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.577 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 28.6 p80 -93.29 150.32 20.57 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.021 -0.536 . . . . 0.38 110.242 -177.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.43 ' O ' HG13 ' A' ' 25' ' ' ILE . 58.8 mt-10 -79.1 -160.34 0.23 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.774 -0.648 . . . . 3.05 110.614 178.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.435 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -54.12 -46.28 72.14 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.933 0.716 . . . . 1.5 112.933 -173.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 23' ' ' GLU . 44.0 mt 70.17 88.63 0.1 OUTLIER Pre-proline 0 C--N 1.317 -0.812 0 CA-C-O 121.026 0.441 . . . . 1.26 110.492 -176.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.49 -31.15 71.87 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.481 2.12 . . . . 1.29 111.774 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 m -68.48 -18.53 64.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.754 -0.657 . . . . 1.43 111.997 -176.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.01 -6.33 10.49 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.011 -0.276 . . . . 1.34 111.525 -177.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 63.01 35.69 12.98 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.998 -0.546 . . . . 2.21 110.709 -178.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.432 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 45.2 m0 -90.76 173.85 7.79 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.647 -0.501 . . . . 1.12 109.647 178.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.99 44.5 1.23 Allowed Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.187 -1.006 . . . . 1.67 113.879 -177.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.435 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 66.13 120.78 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.165 0.802 . . . . 1.16 113.165 174.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.531 ' HE2' ' SD ' ' A' ' 35' ' ' MET . 14.6 ptt? -171.66 145.27 1.97 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.046 -0.525 . . . . 1.47 110.931 179.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.523 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 13.8 m -75.33 106.48 6.89 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.042 -0.526 . . . . 1.15 110.175 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.531 ' SD ' ' HE2' ' A' ' 33' ' ' MET . 85.3 mtp -125.95 165.03 19.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.202 0.525 . . . . 2.01 112.18 -176.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.555 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 88.1 tt0 -104.59 138.58 40.72 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.962 -1.017 . . . . 1.0 110.252 -178.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -119.33 136.47 54.24 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.357 -0.383 . . . . 0.43 110.107 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.29 135.74 36.83 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.229 -0.441 . . . . 1.12 110.21 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.409 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . . . -95.13 143.41 26.06 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.331 -0.395 . . . . 1.22 110.589 -178.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 39' ' ' ALA . 24.2 Cg_exo -63.73 152.58 79.87 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.621 2.214 . . . . 1.49 110.808 173.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -62.98 -1.03 2.45 Favored 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 123.062 2.508 . . . . 2.4 113.399 -177.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.38 -21.59 38.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.928 0.394 . . . . 1.64 110.595 176.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.84 171.65 37.32 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 121.035 -0.603 . . . . 1.0 112.504 178.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.53 ' HG ' HD22 ' A' ' 18' ' ' LEU . 2.8 mm? -92.79 145.62 30.62 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-O 121.018 0.437 . . . . 1.53 111.379 -176.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.611 ' HD2' HD22 ' A' ' 48' ' ' LEU . 45.0 Cg_endo -74.91 -166.6 0.35 Allowed 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.866 2.378 . . . . 0.92 112.245 174.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -102.36 154.28 19.22 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.712 -0.676 . . . . 2.23 109.683 178.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.99 9.68 48.09 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.564 -0.827 . . . . 0.67 113.195 176.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.611 HD22 ' HD2' ' A' ' 45' ' ' PRO . 0.5 OUTLIER -124.96 50.82 1.71 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.726 0.298 . . . . 1.65 111.762 -177.68 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.856 ' HA ' HD12 ' A' ' 13' ' ' ILE . 71.1 mmtt -94.21 158.79 15.43 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.337 -0.246 . . . . 3.53 110.337 -175.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.25 110.2 0.25 Allowed 'General case' 0 C--O 1.232 0.175 0 O-C-N 123.465 0.478 . . . . 1.1 111.044 177.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.76 -18.59 12.82 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.762 -0.732 . . . . 0.38 112.876 -178.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -81.24 158.58 24.79 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.424 0.63 . . . . 0.53 111.508 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -110.47 120.81 43.62 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.237 -0.892 . . . . 3.72 108.746 174.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.564 HG23 HD11 ' A' ' 10' ' ' ILE . 15.7 m -129.58 156.86 42.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.806 0.336 . . . . 1.11 110.79 -175.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.547 ' HB1' ' HG3' ' A' ' 74' ' ' GLN . . . -112.24 112.17 23.57 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.23 -0.655 . . . . 1.03 109.23 176.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.495 ' HB3' HG22 ' A' ' 71' ' ' VAL . 10.9 p90 -125.7 174.05 8.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.808 0.813 . . . . 0.43 112.147 -173.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.1 p -128.65 145.49 51.14 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 114.724 -1.125 . . . . 1.47 108.671 173.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -131.57 141.4 49.68 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.082 0.468 . . . . 0.5 110.238 177.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -110.78 134.26 52.65 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.854 -0.612 . . . . 3.57 109.453 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -89.98 118.79 29.8 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.987 0.422 . . . . 1.59 109.882 178.139 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.493 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 15.0 m-20 -89.74 167.48 17.25 Favored Pre-proline 0 C--N 1.314 -0.935 0 CA-C-N 115.795 -0.639 . . . . 1.87 109.279 178.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.493 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 20.4 Cg_exo -65.5 1.78 1.94 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.379 2.719 . . . . 1.81 113.172 -171.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -94.54 -18.98 20.92 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.266 0.555 . . . . 2.88 110.002 177.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.19 15.66 47.07 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 110.872 -0.891 . . . . 1.2 110.872 -177.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.4 mmt -88.26 152.96 21.59 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.173 -0.514 . . . . 3.17 110.096 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -107.19 97.75 7.48 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.85 -0.796 . . . . 1.18 108.85 -177.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.3 m -97.15 122.6 40.34 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.36 -0.836 . . . . 1.4 110.717 -173.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.466 HD22 ' HB2' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -70.33 128.0 34.72 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.619 -0.719 . . . . 1.82 109.559 -177.767 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.0 t -100.26 -66.14 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.056 0.455 . . . . 1.61 111.023 -173.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.3 p -138.07 143.15 40.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.924 -0.58 . . . . 1.12 109.715 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.61 HG11 HD23 ' A' ' 48' ' ' LEU . 13.1 p -133.51 123.26 45.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.371 0.605 . . . . 1.09 110.136 178.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.99 137.67 20.56 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-N 115.907 -0.588 . . . . 1.07 110.033 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -52.4 106.27 0.14 Allowed 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.775 2.317 . . . . 1.22 112.823 176.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.547 ' HG3' ' HB1' ' A' ' 55' ' ' ALA . 1.1 tt0 -86.9 174.51 8.69 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 115.393 -0.822 . . . . 1.45 110.106 176.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.439 -1.025 0 CA-C-N 115.07 -0.968 . . . . 2.35 110.014 172.076 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo . . . . . 0 C--O 1.236 0.376 0 CA-C-O 121.343 0.476 . . . . 1.39 112.041 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -101.56 125.13 48.16 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.287 -0.869 . . . . 1.13 110.228 -176.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -129.28 139.35 51.83 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.557 -0.905 . . . . 0.64 108.557 178.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.715 ' HA ' ' HA ' ' A' ' 57' ' ' SER . 17.7 ptp180 -99.72 160.64 14.15 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.272 -0.571 . . . . 2.93 110.645 178.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -159.69 148.99 18.01 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.36 -0.836 . . . . 1.12 110.39 -178.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.577 ' HB ' HE22 ' A' ' 74' ' ' GLN . 28.8 m -106.76 141.27 22.38 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 115.78 -0.645 . . . . 1.05 109.823 172.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.565 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -163.28 176.34 39.48 Favored Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.117 -1.04 . . . . 0.28 112.576 -177.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -110.97 127.5 55.53 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.726 -0.472 . . . . 3.71 109.726 -178.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.403 HD12 HG21 ' A' ' 54' ' ' VAL . 43.0 mm -63.1 129.83 27.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.911 -0.586 . . . . 1.06 110.72 -177.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.431 ' NE2' ' HB3' ' A' ' 21' ' ' ALA . 2.2 tp-100 -92.08 -51.19 5.31 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 109.164 -0.68 . . . . 1.15 109.164 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.7 m -160.0 153.08 21.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.763 -0.653 . . . . 1.05 110.052 175.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.881 HD12 ' HA ' ' A' ' 49' ' ' LYS . 76.4 mt -100.63 144.89 12.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 123.3 0.375 . . . . 1.42 110.458 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.441 ' HA3' ' O ' ' A' ' 17' ' ' SER . . . -121.91 -157.35 9.98 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 121.023 -0.608 . . . . 1.06 112.364 178.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.822 ' HG3' ' HG2' ' A' ' 16' ' ' ARG . 8.7 pt-20 -89.73 -39.88 12.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.627 0.727 . . . . 2.55 110.45 -175.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.822 ' HG2' ' HG3' ' A' ' 15' ' ' GLU . 9.0 ptp180 -145.81 7.67 1.09 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.689 -1.141 . . . . 4.52 109.271 -177.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.441 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 2.4 p -155.68 146.85 22.53 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 114.766 -1.106 . . . . 1.27 108.942 -177.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.83 152.44 33.75 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-O 121.098 0.475 . . . . 1.62 110.607 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.831 HG21 HG23 ' A' ' 34' ' ' THR . 6.7 mt -100.92 130.23 50.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.516 -0.766 . . . . 1.26 109.833 -172.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 69.4 mt -129.7 125.12 60.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.944 0.402 . . . . 1.07 111.309 -176.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.656 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -79.22 90.72 4.93 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.319 -0.623 . . . . 1.1 109.319 171.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.565 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 26.7 p80 -85.1 155.89 21.3 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.214 -0.448 . . . . 0.38 110.474 -178.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -70.45 -171.2 0.46 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.696 -0.684 . . . . 3.05 110.577 174.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.618 ' O ' ' HD3' ' A' ' 26' ' ' PRO . . . -69.03 117.77 11.09 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.547 -0.751 . . . . 1.5 109.057 172.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 41.9 mt -95.52 102.62 10.36 Favored Pre-proline 0 C--N 1.315 -0.931 0 CA-C-N 115.65 -0.705 . . . . 1.26 110.565 -176.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.618 ' HD3' ' O ' ' A' ' 24' ' ' ALA . 35.8 Cg_exo -63.18 -36.37 58.19 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.469 2.113 . . . . 1.29 111.423 178.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.1 m -58.7 -31.54 68.33 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.846 -0.615 . . . . 1.43 111.97 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -114.81 3.07 14.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.699 0.285 . . . . 1.34 111.17 -178.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.548 HE21 ' N ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER 57.47 28.56 15.66 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.829 -0.623 . . . . 2.21 111.27 -175.128 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 36.2 m0 -90.34 156.42 18.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.122 0.487 . . . . 1.12 111.002 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -92.85 -174.97 41.25 Favored Glycine 0 N--CA 1.438 -1.229 0 C-N-CA 120.521 -0.847 . . . . 1.67 111.37 172.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.25 116.48 21.15 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 110.013 -0.366 . . . . 1.16 110.013 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 5.3 ptt? -164.35 158.5 18.72 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.073 -0.512 . . . . 1.47 110.696 -177.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.831 HG23 HG21 ' A' ' 19' ' ' ILE . 16.7 m -88.44 103.34 15.76 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.5 -0.773 . . . . 1.15 110.778 -176.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.3 tpp -108.55 149.73 28.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.679 -0.691 . . . . 2.01 111.022 -176.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -88.88 128.44 35.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.116 177.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -117.76 136.43 53.39 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.334 -0.393 . . . . 0.43 110.076 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -93.76 140.25 29.87 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.257 -0.429 . . . . 1.12 110.023 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.05 150.99 39.33 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 123.196 0.31 . . . . 1.22 110.99 -178.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.475 ' HD3' ' O ' ' A' ' 68' ' ' LEU . 33.1 Cg_endo -65.12 159.33 47.31 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.488 2.125 . . . . 1.49 111.231 175.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -57.84 -15.0 19.85 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.992 2.461 . . . . 2.4 112.456 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.29 -41.25 96.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.917 -0.583 . . . . 1.64 111.241 177.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.81 167.47 21.63 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.8 -0.714 . . . . 1.0 112.279 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -88.4 141.62 30.75 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 121.137 0.494 . . . . 1.53 112.091 -174.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.507 ' HD2' HD21 ' A' ' 48' ' ' LEU . 54.7 Cg_endo -82.52 -166.08 0.37 Allowed 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 123.327 2.685 . . . . 0.92 111.753 171.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.586 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 1.0 OUTLIER -111.39 164.26 13.12 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.33 -0.85 . . . . 2.23 109.893 178.711 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.03 21.99 34.17 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.173 -0.537 . . . . 0.67 112.036 -178.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.648 HD22 HG12 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -136.94 49.48 2.04 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.718 0.294 . . . . 1.65 111.774 -178.904 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.881 ' HA ' HD12 ' A' ' 13' ' ' ILE . 9.7 ptpp? -94.79 161.69 14.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.191 -0.318 . . . . 3.53 110.525 -172.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.3 106.2 0.08 Allowed 'General case' 0 C--O 1.235 0.334 0 O-C-N 123.625 0.578 . . . . 1.1 111.303 177.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.76 -26.27 5.69 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.831 -0.699 . . . . 0.38 112.551 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.445 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 24.9 m-20 -70.39 148.23 48.62 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 120.952 0.406 . . . . 0.53 110.788 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -112.12 95.86 5.7 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.307 -0.997 . . . . 3.72 108.307 174.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.542 HG11 ' HA ' ' A' ' 73' ' ' PRO . 10.5 m -102.58 150.28 6.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.068 -0.515 . . . . 1.11 111.062 -169.345 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.96 120.82 38.02 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.778 -0.647 . . . . 1.03 109.258 173.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.813 ' HB3' HG23 ' A' ' 71' ' ' VAL . 37.3 p90 -139.75 167.45 22.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.28 0.562 . . . . 0.43 112.046 -173.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.715 ' HA ' ' HA ' ' A' ' 5' ' ' ARG . 35.5 p -132.55 139.12 47.72 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.519 -0.764 . . . . 1.47 109.51 175.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -134.11 161.48 34.74 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.895 0.378 . . . . 0.5 110.546 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.486 ' HG3' HG23 ' A' ' 69' ' ' VAL . 83.6 mtt180 -116.57 139.33 50.62 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.245 -0.434 . . . . 3.57 110.417 177.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.4 mt -100.15 141.49 32.9 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.722 -0.672 . . . . 1.59 110.762 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.533 ' OD2' ' HB2' ' A' ' 65' ' ' MET . 4.2 p30 -102.18 164.4 15.83 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 115.93 -0.577 . . . . 1.87 109.763 172.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.98 -0.96 3.68 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.984 2.456 . . . . 1.81 113.216 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -95.96 -19.23 19.66 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.72 -0.844 . . . . 2.88 108.72 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.26 23.71 10.21 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 114.457 -1.247 . . . . 1.2 111.911 176.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.533 ' HB2' ' OD2' ' A' ' 61' ' ' ASP . 31.6 mtp -100.24 152.55 20.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.153 0.501 . . . . 3.17 110.037 -179.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.03 109.53 18.21 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.441 -0.799 . . . . 1.18 110.226 -172.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.17 120.28 41.9 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 116.052 -0.522 . . . . 1.4 110.558 -177.13 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.476 HD12 ' HB2' ' A' ' 56' ' ' PHE . 42.4 tp -71.63 134.65 46.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.792 -0.64 . . . . 1.82 110.347 -177.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.486 HG23 ' HG3' ' A' ' 59' ' ' ARG . 21.8 t -103.49 -56.93 4.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.342 -0.39 . . . . 1.61 110.477 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.5 p -143.0 142.6 31.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 1.12 110.567 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.813 HG23 ' HB3' ' A' ' 56' ' ' PHE . 8.7 p -132.59 142.27 42.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.374 -0.602 . . . . 1.09 109.374 176.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -130.97 139.52 35.85 Favored Pre-proline 0 C--N 1.316 -0.886 0 N-CA-C 109.856 -0.424 . . . . 1.07 109.856 176.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.542 ' HA ' HG11 ' A' ' 54' ' ' VAL . 26.2 Cg_endo -64.17 104.63 0.51 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.024 1.816 . . . . 1.22 112.145 -179.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.577 HE22 ' HB ' ' A' ' 7' ' ' VAL . 1.5 tt0 -93.82 170.05 9.85 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 108.746 -0.835 . . . . 1.45 108.746 175.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.46 ' N ' ' CG ' ' A' ' 74' ' ' GLN . 2.4 p . . . . . 0 C--N 1.31 -1.128 0 CA-C-O 121.824 0.821 . . . . 2.35 110.673 -177.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo . . . . . 0 C--O 1.236 0.383 0 CA-C-O 120.965 0.319 . . . . 1.39 112.287 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -90.79 132.78 35.66 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.788 -0.642 . . . . 1.13 110.158 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.451 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 87.9 m-70 -126.1 147.11 49.67 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.681 -0.489 . . . . 0.64 109.681 178.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.552 HH11 ' HB3' ' A' ' 57' ' ' SER . 26.1 mmt180 -81.05 141.31 34.48 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.764 -0.458 . . . . 2.93 109.764 177.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -144.14 137.46 27.49 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 120.918 0.39 . . . . 1.12 111.149 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.0 m -119.0 151.02 21.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.265 -0.425 . . . . 1.05 110.142 173.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.573 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 174.01 -168.05 40.73 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.673 -0.775 . . . . 0.28 112.418 178.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 9' ' ' ARG . 13.8 ttp180 -115.91 137.4 52.14 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.645 -0.502 . . . . 3.71 109.645 -178.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.52 HD13 HG23 ' A' ' 54' ' ' VAL . 37.2 mm -68.0 124.69 24.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 116.307 -0.406 . . . . 1.06 110.241 179.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.402 HE21 ' HB2' ' A' ' 11' ' ' GLN . 7.1 tp-100 -85.25 -49.43 8.19 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.858 -0.61 . . . . 1.15 109.492 178.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.2 m -159.5 160.7 34.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.567 -0.742 . . . . 1.05 110.347 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.576 HD13 ' HA ' ' A' ' 49' ' ' LYS . 61.0 mt -107.95 130.79 59.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.474 -0.565 . . . . 1.42 109.474 173.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.74 -164.4 24.24 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 121.14 -0.552 . . . . 1.06 112.515 -177.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -83.13 -37.93 23.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.923 0.392 . . . . 2.55 111.151 -175.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -134.87 11.9 3.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.383 0.611 . . . . 4.52 110.504 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.586 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 3.6 p -158.09 172.94 17.51 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.242 -0.89 . . . . 1.27 109.007 -177.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.551 HD22 HG21 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -136.61 136.06 38.87 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.92 -0.77 . . . . 1.62 108.92 170.304 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.526 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 31.4 mt -84.98 122.18 37.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 N-CA-C 109.071 -0.714 . . . . 1.26 109.071 177.103 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 60.1 mt -123.34 121.19 62.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.087 -0.506 . . . . 1.07 110.786 -174.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.43 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -73.52 91.8 1.84 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.351 -0.611 . . . . 1.1 109.351 170.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.573 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 23.1 p80 -89.9 157.5 17.85 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.079 -0.509 . . . . 0.38 110.705 -176.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.418 ' O ' HG12 ' A' ' 25' ' ' ILE . 12.8 mm-40 -61.88 -169.81 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.296 -0.866 . . . . 3.05 111.559 174.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.566 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -55.63 -48.16 75.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 1.5 111.343 -178.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.514 ' HB ' ' HB2' ' A' ' 30' ' ' TRP . 41.7 mm 76.9 86.74 0.08 OUTLIER Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 123.782 0.676 . . . . 1.26 110.599 -178.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -75.58 -18.96 17.11 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 122.588 2.192 . . . . 1.29 111.873 178.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.451 ' HB2' ' HB3' ' A' ' 4' ' ' HIS . 9.0 p -71.94 -22.93 61.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.856 -0.611 . . . . 1.43 111.266 -178.137 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.16 4.72 9.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.565 -0.289 . . . . 1.34 111.196 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 55.77 49.72 15.63 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.976 -0.557 . . . . 2.21 111.374 -177.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.514 ' HB2' ' HB ' ' A' ' 25' ' ' ILE . 45.1 m0 -100.06 172.13 7.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.684 -0.689 . . . . 1.12 109.309 174.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.29 46.8 1.06 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.261 -0.971 . . . . 1.67 112.942 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.566 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 65.17 120.15 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.209 0.528 . . . . 1.16 112.307 175.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.571 ' HE3' ' SD ' ' A' ' 35' ' ' MET . 19.1 ptt? -170.78 155.88 4.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.062 -0.517 . . . . 1.47 110.835 179.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.439 HG22 HG23 ' A' ' 19' ' ' ILE . 19.1 m -88.06 104.77 16.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.732 -0.667 . . . . 1.15 110.0 -177.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.571 ' SD ' ' HE3' ' A' ' 33' ' ' MET . 73.6 mtp -115.83 164.2 14.73 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.69 -0.686 . . . . 2.01 111.944 -175.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.526 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 44.8 tt0 -102.75 122.75 45.11 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.066 -0.97 . . . . 1.0 109.872 178.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -105.27 121.24 43.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.302 -0.408 . . . . 0.43 110.301 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.586 ' HA ' ' HB3' ' A' ' 17' ' ' SER . . . -70.69 142.73 51.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.81 -0.632 . . . . 1.12 110.577 -176.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.91 139.97 97.95 Favored Pre-proline 0 C--O 1.235 0.309 0 CA-C-N 116.275 -0.42 . . . . 1.22 111.552 -178.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.435 ' HD2' HD11 ' A' ' 44' ' ' LEU . 36.3 Cg_endo -67.47 160.09 49.48 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.501 2.134 . . . . 1.49 111.469 174.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.93 -3.62 8.62 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.777 2.318 . . . . 2.4 112.976 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -105.41 3.37 29.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.506 -0.315 . . . . 1.64 111.153 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.46 169.59 45.81 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.645 -0.788 . . . . 1.0 112.238 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.546 ' HG ' HD23 ' A' ' 18' ' ' LEU . 2.7 mm? -86.5 141.61 34.47 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-O 120.991 0.424 . . . . 1.53 111.033 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.423 ' HD2' HD21 ' A' ' 48' ' ' LEU . 44.1 Cg_endo -80.64 -169.15 0.73 Allowed 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 123.063 2.508 . . . . 0.92 111.435 169.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.532 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 0.8 OUTLIER -111.47 148.96 32.01 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.605 -0.725 . . . . 2.23 110.464 -177.877 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.08 21.43 10.96 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.943 -0.572 . . . . 0.67 112.275 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.627 HD22 HG13 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -127.61 49.41 2.13 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.767 0.318 . . . . 1.65 111.814 -177.854 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.576 ' HA ' HD13 ' A' ' 13' ' ' ILE . 66.7 mttt -95.29 161.52 14.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.977 0.418 . . . . 3.53 111.738 -177.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.97 110.47 0.36 Allowed 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 115.42 -0.809 . . . . 1.1 110.872 175.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.51 -14.34 20.43 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.53 -0.843 . . . . 0.38 112.708 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -84.61 148.2 26.58 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 117.16 0.48 . . . . 0.53 110.4 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.422 ' O ' ' HG2' ' A' ' 74' ' ' GLN . 22.5 ttm105 -103.45 121.85 43.68 Favored 'General case' 0 N--CA 1.439 -1.017 0 N-CA-C 108.79 -0.819 . . . . 3.72 108.79 173.276 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.575 HG11 ' HA ' ' A' ' 73' ' ' PRO . 16.3 m -126.9 154.18 36.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.101 0.477 . . . . 1.11 111.613 -173.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.457 ' HB1' HE21 ' A' ' 74' ' ' GLN . . . -109.72 115.87 30.66 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.771 -0.825 . . . . 1.03 108.771 175.114 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.81 ' HB3' HG23 ' A' ' 71' ' ' VAL . 11.2 p90 -134.93 -177.94 4.86 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.419 0.526 . . . . 0.43 112.419 -168.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.552 ' HB3' HH11 ' A' ' 5' ' ' ARG . 86.6 p -143.99 153.96 42.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.642 -0.708 . . . . 1.47 109.806 175.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.447 ' HA ' HG23 ' A' ' 69' ' ' VAL . 54.1 p90 -141.1 154.35 45.88 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.431 -0.349 . . . . 0.5 110.854 -178.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.495 ' HG3' ' CG2' ' A' ' 69' ' ' VAL . 47.5 mtm180 -106.05 138.15 42.73 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.393 -0.595 . . . . 3.57 109.393 172.196 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.424 HD12 ' CZ2' ' A' ' 30' ' ' TRP . 14.8 mt -108.33 122.48 47.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.942 0.401 . . . . 1.59 111.906 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.459 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 33.8 m-20 -83.95 166.78 31.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 108.731 -0.841 . . . . 1.87 108.731 172.009 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.459 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 16.3 Cg_exo -68.12 -8.94 24.24 Favored 'Trans proline' 0 N--CA 1.464 -0.213 0 C-N-CA 122.77 2.313 . . . . 1.81 112.493 -174.481 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -90.52 -11.16 41.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.143 -0.48 . . . . 2.88 110.825 179.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.22 24.68 21.43 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.818 -0.706 . . . . 1.2 111.467 -176.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.871 ' HE1' ' HA ' ' A' ' 65' ' ' MET . 8.6 mmt -84.54 131.42 34.63 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 109.637 -0.505 . . . . 3.17 109.637 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -113.9 103.86 11.59 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.727 -0.472 . . . . 1.18 109.727 -174.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.86 126.96 52.47 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 116.122 -0.49 . . . . 1.4 110.138 -176.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.5 tp -70.09 124.7 24.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.585 -0.734 . . . . 1.82 110.472 -176.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.495 ' CG2' ' HG3' ' A' ' 59' ' ' ARG . 22.0 t -96.45 -55.41 6.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.179 0.514 . . . . 1.61 110.332 -178.003 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.2 p -142.11 158.93 43.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.507 -0.77 . . . . 1.12 109.388 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.81 HG23 ' HB3' ' A' ' 56' ' ' PHE . 9.8 p -156.52 129.52 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.136 0.493 . . . . 1.09 110.155 176.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -125.94 130.71 23.93 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.18 -0.464 . . . . 1.07 110.229 178.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.575 ' HA ' HG11 ' A' ' 54' ' ' VAL . 50.4 Cg_exo -53.77 122.6 11.62 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.74 2.293 . . . . 1.22 111.635 176.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.457 HE21 ' HB1' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -112.86 176.54 4.97 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.418 -0.586 . . . . 1.45 109.418 -179.292 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.427 ' N ' ' HG3' ' A' ' 74' ' ' GLN . 24.5 m . . . . . 0 C--N 1.314 -0.978 0 CA-C-N 115.948 -0.569 . . . . 2.35 111.024 -175.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo . . . . . 0 C--O 1.235 0.352 0 CA-C-O 120.874 0.281 . . . . 1.39 112.569 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -85.43 133.85 34.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.975 -0.557 . . . . 1.13 110.802 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.431 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 59.5 m-70 -127.67 142.74 51.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.214 -1.032 . . . . 0.64 108.214 174.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.444 ' HG2' ' HB3' ' A' ' 57' ' ' SER . 51.2 mtt180 -95.14 147.62 23.25 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.677 -0.409 . . . . 2.93 110.94 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -152.92 145.93 24.57 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.895 -0.593 . . . . 1.12 111.139 -179.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.6 m -114.56 149.42 16.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 115.533 -0.758 . . . . 1.05 109.929 172.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -172.53 -178.7 42.84 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.091 -1.052 . . . . 0.28 112.776 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -112.28 130.41 55.95 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.69 -0.485 . . . . 3.71 109.69 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.508 HD13 ' CG2' ' A' ' 54' ' ' VAL . 31.5 mm -65.92 136.95 25.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.237 -0.438 . . . . 1.06 111.679 -175.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.707 HE21 ' HB1' ' A' ' 21' ' ' ALA . 84.5 mm-40 -97.8 -48.82 5.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.033 -0.531 . . . . 1.15 110.11 175.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.8 m -161.76 146.26 12.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.906 -0.588 . . . . 1.05 110.442 -178.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.497 HD11 ' HA ' ' A' ' 49' ' ' LYS . 64.0 mt -98.07 143.29 13.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.488 -0.324 . . . . 1.42 110.569 176.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.585 ' H ' ' HB3' ' A' ' 18' ' ' LEU . . . -129.63 169.52 20.77 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.837 -0.619 . . . . 1.06 111.651 176.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -65.21 -44.7 87.48 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.284 0.475 . . . . 2.55 112.284 -175.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.458 ' HD3' ' H ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -120.26 -9.75 9.47 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.946 0.403 . . . . 4.52 110.986 -176.767 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.415 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 12.8 p -157.32 152.3 25.82 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.928 -0.578 . . . . 1.27 109.725 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.585 ' HB3' ' H ' ' A' ' 14' ' ' GLY . 0.4 OUTLIER -145.76 150.05 35.51 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 120.982 0.42 . . . . 1.62 111.633 -176.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.572 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 61.2 mt -93.78 125.54 46.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.609 -0.723 . . . . 1.26 111.24 -173.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 71.9 mt -126.17 128.09 71.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.829 -0.623 . . . . 1.07 110.358 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.707 ' HB1' HE21 ' A' ' 11' ' ' GLN . . . -80.33 90.64 5.58 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.08 -0.711 . . . . 1.1 109.08 174.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -86.23 153.01 22.32 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.449 -0.796 . . . . 0.38 110.141 -178.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -70.13 -164.97 0.08 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.907 -0.588 . . . . 3.05 110.545 176.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.539 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -52.22 -56.29 15.65 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.531 0.567 . . . . 1.5 112.531 -174.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 24.9 mt 74.01 92.45 0.05 OUTLIER Pre-proline 0 C--N 1.322 -0.63 0 O-C-N 123.797 0.686 . . . . 1.26 110.93 -176.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -71.42 -17.8 30.21 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.384 2.056 . . . . 1.29 111.922 178.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.431 ' CB ' ' HB3' ' A' ' 4' ' ' HIS . 20.4 m -75.54 -23.3 56.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.778 -0.646 . . . . 1.43 111.718 -177.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -114.22 -2.68 13.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.422 -0.353 . . . . 1.34 110.868 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 61.88 37.17 15.49 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.584 -0.734 . . . . 2.21 110.775 -178.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 45.7 m0 -95.63 172.85 7.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.077 -0.51 . . . . 1.12 110.155 177.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -125.15 32.94 3.81 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.598 -0.81 . . . . 1.67 112.614 -177.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.539 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 73.86 123.61 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.44 0.696 . . . . 1.16 111.474 -178.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -169.69 151.71 4.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.013 -0.54 . . . . 1.47 110.649 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.553 HG22 ' HG3' ' A' ' 11' ' ' GLN . 79.7 m -80.49 104.97 11.39 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.56 -0.745 . . . . 1.15 110.557 -179.206 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.4 tpp -130.47 158.26 40.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.129 -0.487 . . . . 2.01 110.597 -177.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.572 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 36.7 tt0 -96.84 140.82 30.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.487 -178.15 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.5 ' HB3' ' HB2' ' A' ' 68' ' ' LEU . 94.9 m-85 -114.77 148.19 38.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.033 -0.531 . . . . 0.43 110.075 179.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.05 135.09 35.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.283 -0.417 . . . . 1.12 110.68 -175.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.38 143.74 76.82 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.131 -0.486 . . . . 1.22 111.615 -177.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -81.02 168.4 17.24 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 122.787 2.324 . . . . 1.49 111.422 175.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -61.42 -11.79 21.23 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.806 2.337 . . . . 2.4 112.438 178.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.87 -19.85 59.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.004 -0.544 . . . . 1.64 111.141 178.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.99 174.63 49.13 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 120.856 -0.688 . . . . 1.0 111.777 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.441 ' HG ' HD21 ' A' ' 18' ' ' LEU . 2.3 mm? -98.17 134.34 22.14 Favored Pre-proline 0 C--N 1.318 -0.798 0 CA-C-O 120.744 0.307 . . . . 1.53 110.739 179.33 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.43 ' HD2' HD23 ' A' ' 48' ' ' LEU . 43.5 Cg_endo -77.91 -167.27 0.47 Allowed 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 122.952 2.434 . . . . 0.92 111.662 173.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.573 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -116.74 156.63 26.84 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.709 -0.678 . . . . 2.23 109.693 178.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.41 20.27 18.13 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.006 -0.616 . . . . 0.67 111.576 -177.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.602 ' HB3' HG12 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -139.97 45.09 1.9 Allowed 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 111.982 0.364 . . . . 1.65 111.982 -176.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.538 ' HB3' ' HZ2' ' A' ' 49' ' ' LYS . 0.2 OUTLIER -96.14 171.33 8.67 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.809 -0.357 . . . . 3.53 110.668 -177.577 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.22 113.69 0.47 Allowed 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.795 0.685 . . . . 1.1 112.229 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.32 -17.3 26.49 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.865 -0.683 . . . . 0.38 113.35 177.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -82.87 153.29 25.2 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 117.379 0.59 . . . . 0.53 110.769 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 46.2 ttt-85 -105.35 123.35 47.71 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 108.74 -0.837 . . . . 3.72 108.74 172.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.602 HG12 ' HB3' ' A' ' 48' ' ' LEU . 7.6 m -124.23 154.03 30.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 120.963 0.411 . . . . 1.11 111.306 -177.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.85 115.68 30.26 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.987 -0.745 . . . . 1.03 108.987 177.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.63 ' HB3' HG21 ' A' ' 71' ' ' VAL . 42.3 p90 -134.95 165.08 26.16 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.784 0.661 . . . . 0.43 112.784 -170.092 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.444 ' HB3' ' HG2' ' A' ' 5' ' ' ARG . 87.9 p -127.26 135.66 50.91 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.082 -0.963 . . . . 1.47 109.256 174.1 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -135.99 152.54 51.04 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.332 -0.394 . . . . 0.5 110.33 -178.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -104.36 143.08 33.47 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.645 -0.502 . . . . 3.57 109.645 177.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.9 mt -117.37 125.41 50.96 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.998 -0.546 . . . . 1.59 111.295 -176.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.523 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 28.4 m-20 -93.15 163.96 23.24 Favored Pre-proline 0 C--N 1.317 -0.836 0 N-CA-C 109.362 -0.607 . . . . 1.87 109.362 174.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.41 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 24.7 Cg_exo -64.09 -16.74 56.63 Favored 'Trans proline' 0 CA--C 1.528 0.197 0 C-N-CA 123.221 2.614 . . . . 1.81 113.245 -173.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -80.87 -12.23 59.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.919 0.39 . . . . 2.88 110.786 176.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.66 31.0 8.53 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 110.962 -0.855 . . . . 1.2 110.962 -174.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.523 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 22.6 mmt -85.13 110.75 19.2 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.831 -0.433 . . . . 3.17 109.831 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.18 98.43 11.29 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.526 -0.761 . . . . 1.18 109.559 -176.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.05 106.64 17.23 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.509 -0.769 . . . . 1.4 110.777 -173.117 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.5 ' HB2' ' HB3' ' A' ' 37' ' ' PHE . 2.9 tm? -68.21 128.04 35.12 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.417 -0.811 . . . . 1.82 109.27 -179.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.4 t -99.67 -57.07 4.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.169 0.509 . . . . 1.61 110.368 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.2 p -145.21 143.74 30.45 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.514 -0.766 . . . . 1.12 110.344 -177.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.63 HG21 ' HB3' ' A' ' 56' ' ' PHE . 7.7 p -138.4 128.0 33.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.115 0.483 . . . . 1.09 109.931 178.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.21 124.61 34.12 Favored Pre-proline 0 C--N 1.318 -0.764 0 CA-C-N 116.128 -0.487 . . . . 1.07 110.011 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.455 ' HA ' HG11 ' A' ' 54' ' ' VAL . 40.2 Cg_exo -57.52 109.43 0.47 Allowed 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.362 2.041 . . . . 1.22 111.053 175.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.418 ' HG2' ' HA ' ' A' ' 54' ' ' VAL . 17.4 pt20 -109.28 179.48 4.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.56 -0.745 . . . . 1.45 109.657 -178.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 6.1 m . . . . . 0 C--N 1.312 -1.034 0 CA-C-N 115.736 -0.665 . . . . 2.35 109.474 -173.435 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.494 ' HD2' ' O ' ' A' ' 60' ' ' LEU . 42.3 Cg_endo . . . . . 0 C--O 1.235 0.374 0 CA-C-O 121.221 0.425 . . . . 1.39 112.118 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -89.51 114.85 26.44 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.264 -0.88 . . . . 1.13 110.102 -178.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -118.43 145.88 44.88 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.424 -0.584 . . . . 0.64 109.424 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.401 ' HA ' ' HA ' ' A' ' 57' ' ' SER . 38.1 mtt180 -89.07 151.14 22.41 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.907 0.385 . . . . 2.93 110.93 177.196 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.458 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . . . -151.81 149.49 29.08 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.893 -0.594 . . . . 1.12 110.278 179.061 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.0 m -119.54 148.55 22.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 116.325 -0.398 . . . . 1.05 110.106 176.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.469 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -174.51 -166.44 32.48 Favored Glycine 0 N--CA 1.442 -0.935 0 C-N-CA 120.484 -0.865 . . . . 0.28 112.222 178.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -124.17 135.14 53.26 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.858 -0.793 . . . . 3.71 108.858 -178.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.622 HD13 HG21 ' A' ' 54' ' ' VAL . 47.4 mm -67.04 129.57 31.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 120.816 0.341 . . . . 1.06 110.947 -173.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -90.03 -54.31 4.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.573 -0.74 . . . . 1.15 109.677 -178.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.6 m -162.67 147.34 11.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 1.05 110.32 177.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.696 HD12 ' HA ' ' A' ' 49' ' ' LYS . 80.9 mt -95.25 141.93 14.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.425 -0.352 . . . . 1.42 110.356 178.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -109.62 -142.6 9.64 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 111.541 -0.624 . . . . 1.06 111.541 175.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -122.91 -22.67 5.2 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.969 0.414 . . . . 2.55 110.72 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.405 ' C ' ' HG ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -136.1 -7.58 2.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.213 -0.449 . . . . 4.52 110.396 178.859 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.537 ' CB ' ' HA ' ' A' ' 38' ' ' ALA . 13.5 m -155.3 177.38 11.42 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.988 -1.116 . . . . 1.27 107.988 173.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.478 ' HB3' ' HA ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -159.57 152.09 21.3 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.99 0.424 . . . . 1.62 110.806 176.866 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.492 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 14.5 mt -95.91 133.4 37.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.784 -0.643 . . . . 1.26 110.123 -174.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 79.0 mt -131.31 124.6 55.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.101 -0.5 . . . . 1.07 110.658 -178.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.628 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -72.15 91.35 1.27 Allowed 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.279 -0.637 . . . . 1.1 109.279 170.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.469 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 29.9 p80 -91.18 154.35 19.38 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.148 -0.478 . . . . 0.38 111.241 -175.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -67.64 -171.24 0.18 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.152 -0.931 . . . . 3.05 110.939 174.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.73 -31.6 72.9 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.217 0.451 . . . . 1.5 112.217 -176.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 57.7 mt 67.3 95.31 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 121.124 0.488 . . . . 1.26 111.158 178.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -70.45 -14.72 34.19 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.417 2.078 . . . . 1.29 112.226 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 43.8 m -83.41 -11.62 57.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.727 -0.669 . . . . 1.43 111.384 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.21 -9.64 7.58 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.84 -0.344 . . . . 1.34 111.806 -178.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 60.69 40.6 16.13 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.316 0.579 . . . . 2.21 110.091 -175.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 32.7 m0 -101.52 176.17 5.32 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.325 -0.852 . . . . 1.12 111.348 -177.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -102.99 168.16 17.79 Favored Glycine 0 N--CA 1.438 -1.204 0 CA-C-N 115.137 -0.938 . . . . 1.67 111.375 172.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.17 114.07 17.81 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.737 -0.468 . . . . 1.16 109.737 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -158.37 147.91 19.51 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.077 -0.51 . . . . 1.47 111.274 -174.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.628 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 20.3 m -76.26 106.53 7.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.367 -0.833 . . . . 1.15 110.436 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 63.4 mtp -122.31 165.18 16.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.066 -0.516 . . . . 2.01 111.569 -178.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.492 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 40.0 tt0 -97.75 136.81 37.57 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.24 -0.891 . . . . 1.0 110.464 -179.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.422 ' HB3' ' HB2' ' A' ' 68' ' ' LEU . 97.0 m-85 -119.63 118.4 30.87 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.973 -0.558 . . . . 0.43 110.175 176.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.546 ' HB2' HG22 ' A' ' 67' ' ' THR . . . -67.78 137.01 55.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.481 -0.782 . . . . 1.12 110.384 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . . . -81.48 146.66 57.86 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.489 -0.323 . . . . 1.22 110.819 -177.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 39' ' ' ALA . 22.5 Cg_exo -64.89 150.53 88.0 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 122.345 2.03 . . . . 1.49 110.841 174.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -56.54 -16.41 18.64 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.869 2.379 . . . . 2.4 112.373 178.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.86 -30.69 70.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 1.64 111.14 176.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 109.23 -179.42 20.98 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.91 -0.662 . . . . 1.0 112.091 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -99.47 146.31 31.57 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-O 120.776 0.322 . . . . 1.53 111.535 -178.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.695 ' HD2' HD22 ' A' ' 48' ' ' LEU . 61.3 Cg_endo -85.73 -164.26 0.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 123.368 2.712 . . . . 0.92 111.769 170.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.571 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -117.04 150.47 38.59 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.47 -0.787 . . . . 2.23 110.291 -179.252 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.93 17.02 19.93 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.918 -0.583 . . . . 0.67 112.088 178.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.807 HD23 HG11 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -127.67 49.27 2.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.645 0.26 . . . . 1.65 111.549 -177.656 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.696 ' HA ' HD12 ' A' ' 13' ' ' ILE . 5.1 ptpp? -95.36 167.31 11.42 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.711 -0.396 . . . . 3.53 110.282 -174.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.02 110.53 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.819 -0.628 . . . . 1.1 111.182 178.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.93 -23.56 9.94 Favored Glycine 0 N--CA 1.441 -1.006 0 C-N-CA 120.741 -0.743 . . . . 0.38 112.686 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.433 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 12.4 m-20 -71.09 146.64 49.13 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.38 0.61 . . . . 0.53 110.592 -179.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.06 119.29 38.58 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 107.959 -1.126 . . . . 3.72 107.959 175.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.664 ' HA ' ' H ' ' A' ' 74' ' ' GLN . 15.4 m -128.93 156.43 41.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.159 0.504 . . . . 1.11 111.647 -172.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -115.83 121.22 41.76 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.601 -0.888 . . . . 1.03 108.601 174.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.78 ' HB3' HG21 ' A' ' 71' ' ' VAL . 33.7 p90 -134.58 173.02 12.12 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.339 0.59 . . . . 0.43 112.316 -169.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 5' ' ' ARG . 20.6 p -134.1 141.25 47.08 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.456 -0.793 . . . . 1.47 109.584 175.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.434 ' HA ' HG21 ' A' ' 69' ' ' VAL . 40.5 p90 -138.95 164.3 30.08 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.187 -0.301 . . . . 0.5 110.187 -178.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.465 ' HG3' ' CG2' ' A' ' 69' ' ' VAL . 21.4 mtm180 -117.15 140.94 48.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.814 0.34 . . . . 3.57 110.316 177.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.494 ' O ' ' HD2' ' A' ' 2' ' ' PRO . 15.6 mt -90.06 122.88 33.45 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.725 -0.67 . . . . 1.59 109.975 173.172 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.431 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 28.3 m-20 -86.32 166.42 28.33 Favored Pre-proline 0 C--N 1.316 -0.861 0 N-CA-C 109.23 -0.656 . . . . 1.87 109.23 177.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.431 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 15.7 Cg_exo -69.29 1.21 4.32 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 123.008 2.472 . . . . 1.81 113.241 -173.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.9 m170 -104.44 -6.84 20.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.368 0.604 . . . . 2.88 110.265 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.6 27.95 15.82 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.155 -0.93 . . . . 1.2 111.342 -178.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 95.7 mmm -99.57 153.42 19.06 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.56 -0.32 . . . . 3.17 110.29 -178.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.72 98.28 6.43 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.467 0.651 . . . . 1.18 109.561 -173.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.546 HG22 ' HB2' ' A' ' 38' ' ' ALA . 4.0 m -105.77 126.59 52.34 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.488 -0.778 . . . . 1.4 110.117 -176.203 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.459 HD11 ' HB2' ' A' ' 56' ' ' PHE . 36.8 tp -71.76 145.24 48.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.623 -0.717 . . . . 1.82 110.969 -173.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.465 ' CG2' ' HG3' ' A' ' 59' ' ' ARG . 46.7 t -106.88 -63.96 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.984 -0.553 . . . . 1.61 109.704 176.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.9 p -143.64 153.13 42.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.185 -0.461 . . . . 1.12 110.596 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.807 HG11 HD23 ' A' ' 48' ' ' LEU . 10.4 p -136.28 140.83 42.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.464 -0.569 . . . . 1.09 109.464 177.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -130.83 141.75 43.08 Favored Pre-proline 0 C--N 1.319 -0.718 0 N-CA-C 109.989 -0.375 . . . . 1.07 109.989 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -61.42 110.53 0.93 Allowed 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.545 2.163 . . . . 1.22 112.55 -178.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.664 ' H ' ' HA ' ' A' ' 54' ' ' VAL . 1.6 tt0 -77.31 174.06 11.21 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 115.537 -0.756 . . . . 1.45 109.225 174.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.32 -0.704 0 N-CA-C 112.914 0.709 . . . . 2.35 112.914 -178.656 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo . . . . . 0 C--O 1.235 0.341 0 CA-C-O 120.99 0.329 . . . . 1.39 112.616 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -89.31 136.72 32.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.728 -0.669 . . . . 1.13 110.718 -178.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.42 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 90.4 m-70 -130.48 154.93 47.26 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.536 -0.542 . . . . 0.64 109.536 177.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.607 ' HD3' ' HB3' ' A' ' 57' ' ' SER . 26.5 mmt180 -91.51 146.89 23.42 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.701 -0.111 . . . . 2.93 110.701 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -157.03 134.15 10.39 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.32 0.581 . . . . 1.12 112.029 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.432 ' HB ' HE22 ' A' ' 74' ' ' GLN . 18.6 m -120.47 148.54 23.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.706 -0.679 . . . . 1.05 109.572 174.162 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.792 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 177.92 -171.73 44.27 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.06 -1.067 . . . . 0.28 113.042 -179.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.478 ' HA ' ' HA ' ' A' ' 53' ' ' ARG . 40.7 ttp-105 -111.84 134.01 53.68 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.792 0.329 . . . . 3.71 110.427 -177.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.446 HD12 ' CG2' ' A' ' 54' ' ' VAL . 29.2 mm -72.66 134.18 30.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.985 -0.552 . . . . 1.06 111.014 -176.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.556 HE21 ' HB2' ' A' ' 21' ' ' ALA . 84.1 mm-40 -91.15 -53.23 4.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.5 -0.318 . . . . 1.15 110.463 176.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.538 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 67.2 m -165.4 131.66 2.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.43 . . . . 1.05 109.885 -178.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.873 ' HA ' ' HB3' ' A' ' 18' ' ' LEU . 66.5 mt -95.11 124.55 47.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.144 0.497 . . . . 1.42 110.824 177.132 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -96.86 -159.72 31.64 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.24 -0.891 . . . . 1.06 111.571 178.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -79.74 -40.67 28.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.106 0.479 . . . . 2.55 110.311 -178.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -138.68 9.08 2.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.875 -0.602 . . . . 4.52 111.662 -178.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.0 p -155.74 146.7 22.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.263 -0.426 . . . . 1.27 110.515 177.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.873 ' HB3' ' HA ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -142.3 145.2 33.73 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.964 0.412 . . . . 1.62 110.902 179.492 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.691 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 12.3 mt -91.28 128.52 42.99 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.044 0 N-CA-C 109.124 -0.695 . . . . 1.26 109.124 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 57.8 mt -128.11 124.81 63.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-O 120.925 0.393 . . . . 1.07 110.614 -178.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.556 ' HB2' HE21 ' A' ' 11' ' ' GLN . . . -84.18 89.61 7.35 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.759 -0.83 . . . . 1.1 108.759 173.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.792 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 28.2 p80 -90.44 153.66 20.23 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.653 -0.703 . . . . 0.38 110.798 -176.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -68.77 -166.24 0.07 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.313 -0.858 . . . . 3.05 110.828 176.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.504 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -52.06 -50.91 60.58 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.271 0.841 . . . . 1.5 113.271 -172.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.505 HG21 ' O ' ' A' ' 5' ' ' ARG . 24.6 mt 75.48 91.76 0.05 OUTLIER Pre-proline 0 C--N 1.321 -0.64 0 O-C-N 123.59 0.556 . . . . 1.26 110.583 -174.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -76.33 -0.49 10.44 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.354 2.036 . . . . 1.29 112.114 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.42 ' HB2' ' HB3' ' A' ' 4' ' ' HIS . 15.6 m -88.2 -20.89 24.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.919 -0.582 . . . . 1.43 110.747 177.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.66 -2.2 8.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.545 -0.298 . . . . 1.34 111.696 -176.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 66.1 25.51 10.79 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.512 0.507 . . . . 2.21 111.316 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 49.2 m0 -83.85 172.19 12.38 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.785 -0.45 . . . . 1.12 109.785 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.42 44.58 1.22 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.681 -0.771 . . . . 1.67 113.11 -176.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.504 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 70.65 125.21 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.128 0.571 . . . . 1.16 111.699 177.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 22.4 ptp -168.13 145.47 4.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.984 -0.553 . . . . 1.47 110.878 -176.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.535 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 23.9 m -85.57 106.09 16.63 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.498 -0.774 . . . . 1.15 109.674 178.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.412 ' HE3' ' HB2' ' A' ' 35' ' ' MET . 29.4 ttm -129.91 149.29 51.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.353 -0.385 . . . . 2.01 111.087 -175.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.691 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 44.2 tt0 -85.43 135.51 33.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.208 178.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -114.72 142.16 46.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.012 -0.54 . . . . 0.43 110.079 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.55 ' HB3' HG22 ' A' ' 67' ' ' THR . . . -84.01 132.55 34.73 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.198 -0.455 . . . . 1.12 109.971 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.6 147.57 33.43 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 116.037 -0.529 . . . . 1.22 111.035 -177.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -62.09 148.9 92.3 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.609 2.206 . . . . 1.49 111.3 172.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -57.66 -15.88 22.44 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.263 2.642 . . . . 2.4 113.243 -178.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.55 -25.11 63.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.45 -0.341 . . . . 1.64 111.14 177.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.96 170.77 38.49 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.96 -0.638 . . . . 1.0 112.449 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.454 HD21 ' N ' ' A' ' 44' ' ' LEU . 2.1 mm? -97.39 152.94 38.51 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 110.155 -0.313 . . . . 1.53 110.155 -178.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.444 ' HD2' HD13 ' A' ' 48' ' ' LEU . 1.7 Cg_endo -82.23 -165.95 0.36 Allowed 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 122.909 2.406 . . . . 0.92 111.115 171.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.54 176.0 5.31 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.468 -0.567 . . . . 2.23 109.468 175.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.8 6.25 85.54 Favored Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.336 -0.935 . . . . 0.67 110.928 -176.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.671 HD23 HG13 ' A' ' 71' ' ' VAL . 1.5 pp -147.4 40.26 1.02 Allowed 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 114.679 -0.76 . . . . 1.65 110.01 -178.001 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -96.94 -175.51 3.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.545 -0.752 . . . . 3.53 111.38 -171.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.538 ' HB1' ' HA ' ' A' ' 12' ' ' SER . . . -48.17 113.04 0.66 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.31 -0.405 . . . . 1.1 111.952 179.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.61 -23.82 11.73 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.143 -0.551 . . . . 0.38 112.152 -178.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -77.46 148.75 35.23 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 121.091 0.472 . . . . 0.53 111.039 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.478 ' HA ' ' HA ' ' A' ' 9' ' ' ARG . 76.7 ttt180 -111.95 114.48 27.41 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.643 -0.873 . . . . 3.72 108.643 173.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.672 HG13 ' HA ' ' A' ' 73' ' ' PRO . 11.8 m -125.76 167.65 19.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.253 -0.43 . . . . 1.11 111.654 -169.268 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.4 ' HA ' HG11 ' A' ' 7' ' ' VAL . . . -114.45 123.9 50.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.658 -0.701 . . . . 1.03 109.812 177.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.639 ' HB3' HG23 ' A' ' 71' ' ' VAL . 20.5 p90 -141.74 -176.53 4.8 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.298 0.57 . . . . 0.43 111.517 -174.101 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.607 ' HB3' ' HD3' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -133.98 -178.22 4.93 Favored 'General case' 0 N--CA 1.438 -1.058 0 N-CA-C 108.484 -0.932 . . . . 1.47 108.484 168.757 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -166.21 162.32 17.42 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 110.141 -0.318 . . . . 0.5 110.141 178.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -119.82 137.74 53.8 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.231 -0.44 . . . . 3.57 110.13 177.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.9 mt -95.87 125.12 40.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.858 -0.61 . . . . 1.59 110.736 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.729 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 5.6 m-20 -89.44 166.39 21.51 Favored Pre-proline 0 C--N 1.32 -0.681 0 N-CA-C 109.28 -0.637 . . . . 1.87 109.28 175.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.474 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 17.7 Cg_exo -67.13 -2.73 8.52 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 123.265 2.643 . . . . 1.81 113.459 -172.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -102.08 1.46 36.37 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.063 0.459 . . . . 2.88 110.7 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.45 24.21 44.17 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 110.842 -0.903 . . . . 1.2 110.842 -175.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.729 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 91.4 mmm -81.45 132.58 35.33 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 115.27 -0.465 . . . . 3.17 110.247 -177.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.76 98.27 7.98 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 109.008 -0.738 . . . . 1.18 109.008 -177.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.55 HG22 ' HB3' ' A' ' 38' ' ' ALA . 1.2 m -105.66 119.81 40.08 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 115.907 -0.588 . . . . 1.4 110.658 -174.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.9 tp -67.46 141.44 56.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.321 -0.854 . . . . 1.82 109.882 -177.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.75 HG23 ' H ' ' A' ' 70' ' ' THR . 9.1 m -109.57 -64.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.752 0.311 . . . . 1.61 111.337 -178.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.75 ' H ' HG23 ' A' ' 69' ' ' VAL . 31.7 p -142.69 142.86 32.1 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.037 -0.727 . . . . 1.12 109.037 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.671 HG13 HD23 ' A' ' 48' ' ' LEU . 10.7 p -136.19 138.55 46.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.022 0.439 . . . . 1.09 110.705 178.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -127.7 142.33 43.86 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.628 -0.714 . . . . 1.07 109.933 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.672 ' HA ' HG13 ' A' ' 54' ' ' VAL . 30.0 Cg_endo -64.0 127.38 19.27 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.477 2.118 . . . . 1.22 111.902 179.246 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.432 HE22 ' HB ' ' A' ' 7' ' ' VAL . 9.3 pt20 -129.14 178.25 6.56 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.403 -0.592 . . . . 1.45 109.403 178.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.8 m . . . . . 0 C--N 1.316 -0.885 0 N-CA-C 108.898 -0.779 . . . . 2.35 108.898 -177.864 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.43 ' HA3' ' O ' ' A' ' 60' ' ' LEU . . . . . . . . 0 N--CA 1.484 1.837 0 N-CA-C 111.888 -0.485 . . . . 2.16 111.888 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.424 ' HD2' ' O ' ' A' ' 60' ' ' LEU . 33.5 Cg_endo -64.65 147.51 90.03 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.923 2.415 . . . . 1.39 112.485 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -96.28 133.13 41.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.924 -0.58 . . . . 1.13 110.007 -178.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -127.14 156.9 41.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.465 -0.334 . . . . 0.64 110.133 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.407 ' O ' HG22 ' A' ' 25' ' ' ILE . 20.4 tpt180 -89.17 141.12 28.8 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.917 -0.401 . . . . 2.93 109.917 178.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -148.21 126.91 12.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.252 0.548 . . . . 1.12 111.199 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.476 ' HB ' HE22 ' A' ' 74' ' ' GLN . 17.6 m -111.94 150.74 14.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.92 -0.582 . . . . 1.05 110.075 174.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.679 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 176.72 -173.69 46.48 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.187 -1.006 . . . . 0.28 112.763 178.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.4 ttp85 -111.22 132.49 54.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.835 0.35 . . . . 3.71 110.073 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.478 HD11 ' CG2' ' A' ' 54' ' ' VAL . 39.8 mm -66.56 124.76 22.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.028 -0.533 . . . . 1.06 110.335 -177.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -89.93 -48.76 7.01 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.956 -0.566 . . . . 1.15 109.601 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.419 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 37.6 m -160.52 149.31 16.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.848 -0.614 . . . . 1.05 110.097 178.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.584 HD11 ' HA ' ' A' ' 49' ' ' LYS . 34.6 mt -102.82 142.11 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.88 0.372 . . . . 1.42 110.784 177.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.525 ' H ' ' HB3' ' A' ' 18' ' ' LEU . . . -121.98 -174.07 14.55 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.773 -0.649 . . . . 1.06 112.297 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.705 ' HG3' ' HG3' ' A' ' 16' ' ' ARG . 8.9 pt-20 -70.96 -44.1 66.73 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 122.438 0.295 . . . . 2.55 111.715 -176.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.705 ' HG3' ' HG3' ' A' ' 15' ' ' GLU . 3.9 ppt_? -143.0 8.5 1.67 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.381 0.61 . . . . 4.52 110.897 178.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.47 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 17.4 p -156.03 147.73 22.94 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.378 -0.828 . . . . 1.27 108.784 174.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.634 HD22 ' HG ' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -147.01 146.5 30.07 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 116.195 -0.457 . . . . 1.62 111.1 -175.727 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.692 HG23 HG21 ' A' ' 34' ' ' THR . 15.9 mt -91.56 126.84 44.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.687 -0.688 . . . . 1.26 110.181 -176.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.2 mt -125.37 126.19 70.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.727 -0.669 . . . . 1.07 110.167 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.79 89.26 2.86 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.052 -0.722 . . . . 1.1 109.052 171.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.679 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 28.3 p80 -87.61 153.25 21.54 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.755 -0.657 . . . . 0.38 110.685 -178.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.405 ' O ' HG13 ' A' ' 25' ' ' ILE . 48.3 mt-10 -71.25 -170.01 0.44 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.48 -0.782 . . . . 3.05 109.969 175.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.409 ' O ' ' HB ' ' A' ' 25' ' ' ILE . . . -57.91 -36.26 72.2 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.842 0.682 . . . . 1.5 112.842 -172.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.409 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 48.2 mt 69.13 89.6 0.09 OUTLIER Pre-proline 0 C--N 1.319 -0.742 0 CA-C-O 121.144 0.497 . . . . 1.26 110.744 -177.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -70.87 -5.12 16.18 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 123.061 2.507 . . . . 1.29 112.165 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.4 m -87.82 -18.14 29.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.167 -0.47 . . . . 1.43 111.124 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.96 -6.06 8.46 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.935 0.346 . . . . 1.34 111.935 -176.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 58.79 45.31 15.73 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.764 0.792 . . . . 2.21 109.906 -177.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 29.7 m0 -105.74 175.62 5.44 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.689 -1.141 . . . . 1.12 110.488 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.415 ' O ' ' HG2' ' A' ' 33' ' ' MET . . . -106.77 163.57 13.39 Favored Glycine 0 N--CA 1.44 -1.095 0 N-CA-C 110.889 -0.884 . . . . 1.67 110.889 171.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.07 123.31 20.73 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.702 0.287 . . . . 1.16 110.285 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.415 ' HG2' ' O ' ' A' ' 31' ' ' GLY . 2.6 ptt? -164.54 153.83 13.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.193 0.52 . . . . 1.47 111.58 -175.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.692 HG21 HG23 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -78.38 106.94 10.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.012 -0.995 . . . . 1.15 110.101 179.731 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 37.8 ttm -129.92 147.83 51.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.493 -0.321 . . . . 2.01 111.616 -176.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.518 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 40.4 tt0 -86.62 136.3 33.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.828 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -116.88 139.72 50.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.079 -0.51 . . . . 0.43 110.079 176.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.7 133.43 34.02 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.458 -0.337 . . . . 1.12 110.45 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.409 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . . . -93.22 149.04 36.76 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.432 -0.349 . . . . 1.22 111.013 -178.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 39' ' ' ALA . 17.6 Cg_exo -67.01 159.55 51.46 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.735 2.29 . . . . 1.49 111.529 174.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -62.67 -4.62 5.97 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 122.954 2.436 . . . . 2.4 113.189 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.89 -15.48 51.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.882 0.373 . . . . 1.64 111.066 178.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.39 179.77 45.13 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.833 -0.699 . . . . 1.0 112.457 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.634 ' HG ' HD22 ' A' ' 18' ' ' LEU . 2.6 mm? -103.1 150.79 38.2 Favored Pre-proline 0 C--N 1.318 -0.761 0 CA-C-O 120.994 0.426 . . . . 1.53 111.074 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 5.1 Cg_exo -80.1 -163.53 0.23 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 123.597 2.865 . . . . 0.92 111.884 171.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.607 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 0.8 OUTLIER -117.06 170.27 8.78 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.212 -0.904 . . . . 2.23 110.014 177.68 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.15 13.38 74.37 Favored Glycine 0 N--CA 1.454 -0.143 0 C-N-CA 121.075 -0.583 . . . . 0.67 111.65 -177.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.674 ' HB3' HG13 ' A' ' 54' ' ' VAL . 0.9 OUTLIER -140.95 42.81 1.82 Allowed 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 121.21 0.529 . . . . 1.65 110.526 -178.155 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.584 ' HA ' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -96.52 172.02 8.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.821 -0.627 . . . . 3.53 110.283 -176.678 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.419 ' HB1' ' HA ' ' A' ' 12' ' ' SER . . . -50.84 106.51 0.13 Allowed 'General case' 0 C--O 1.231 0.126 0 CA-C-O 121.02 0.438 . . . . 1.1 110.957 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.75 -15.23 7.52 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.584 -0.735 . . . . 0.38 112.114 -177.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -89.93 157.65 17.77 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 121.294 0.569 . . . . 0.53 111.105 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.435 ' HD3' ' HA ' ' A' ' 76' ' ' GLN . 23.2 ttt180 -117.57 122.63 44.16 Favored 'General case' 0 N--CA 1.438 -1.028 0 N-CA-C 108.337 -0.986 . . . . 3.72 108.337 172.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.674 HG13 ' HB3' ' A' ' 48' ' ' LEU . 8.4 m -131.27 162.25 39.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.131 0.491 . . . . 1.11 111.585 -174.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -114.38 117.62 31.55 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.572 -0.74 . . . . 1.03 109.706 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.535 ' HB2' HD13 ' A' ' 68' ' ' LEU . 7.7 p90 -127.97 168.0 15.89 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.704 0.764 . . . . 0.43 112.496 -173.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.6 p -126.04 140.43 52.6 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.719 -1.128 . . . . 1.47 109.0 172.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -137.54 154.85 49.76 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.694 0.283 . . . . 0.5 110.319 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.484 ' HG3' ' CG2' ' A' ' 69' ' ' VAL . 31.8 mtm180 -104.18 128.01 51.83 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 110.01 -0.367 . . . . 3.57 110.01 178.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.456 HD21 ' O ' ' A' ' 65' ' ' MET . 7.0 mt -96.89 108.04 20.66 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.934 -0.576 . . . . 1.59 110.065 175.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.407 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 6.3 m-20 -80.52 161.54 64.07 Favored Pre-proline 0 C--N 1.311 -1.093 0 N-CA-C 108.519 -0.919 . . . . 1.87 108.519 176.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.407 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 22.2 Cg_exo -63.42 -17.94 62.32 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.919 2.413 . . . . 1.81 112.903 -167.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -77.07 -17.92 58.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.146 -0.479 . . . . 2.88 110.339 -178.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.77 30.45 6.8 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 110.904 -0.879 . . . . 1.2 110.904 -174.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.456 ' O ' HD21 ' A' ' 60' ' ' LEU . 24.5 mmt -95.62 135.61 37.07 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 115.549 -0.325 . . . . 3.17 110.209 -179.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -109.05 98.25 7.74 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.648 -0.706 . . . . 1.18 109.464 -176.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.7 m -107.46 116.85 32.67 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.523 -0.762 . . . . 1.4 110.627 -174.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.535 HD13 ' HB2' ' A' ' 56' ' ' PHE . 29.1 tp -70.53 140.95 51.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.799 -0.637 . . . . 1.82 110.011 -178.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.484 ' CG2' ' HG3' ' A' ' 59' ' ' ARG . 46.4 t -111.99 -64.09 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.391 0.615 . . . . 1.61 110.029 -178.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.48 HG22 HG11 ' A' ' 69' ' ' VAL . 26.7 p -142.8 138.48 30.42 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.35 -0.841 . . . . 1.12 110.124 -176.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.514 ' HB ' ' HB3' ' A' ' 56' ' ' PHE . 7.2 p -133.96 133.05 56.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 121.053 0.454 . . . . 1.09 110.159 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -126.37 143.61 46.58 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.07 -0.513 . . . . 1.07 110.261 -178.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -48.59 124.7 11.29 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 123.247 2.631 . . . . 1.22 113.585 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.932 ' HB2' ' HA ' ' A' ' 78' ' ' ALA . 2.4 pt20 -117.35 176.21 5.26 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 107.18 -1.415 . . . . 1.45 107.18 168.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 p -148.78 85.28 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.246 0 CA-C-O 121.566 0.698 . . . . 2.35 110.347 177.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.435 ' HA ' ' HD3' ' A' ' 53' ' ' ARG . 16.8 mm100 65.55 110.24 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 114.248 -1.342 . . . . 2.92 111.958 178.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.7 p 52.38 30.93 8.78 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.344 -0.844 . . . . 4.2 111.766 -175.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.932 ' HA ' ' HB2' ' A' ' 74' ' ' GLN . . . 66.42 -75.99 0.05 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 114.94 -1.027 . . . . 3.65 111.908 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 172.76 -156.58 25.21 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.434 -0.666 . . . . 5.36 111.434 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.58 127.51 35.26 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.753 0.311 . . . . 7.0 110.999 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -108.48 127.98 26.46 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.032 -0.531 . . . . 11.04 109.863 176.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo . . . . . 0 C--O 1.247 0.94 0 C-N-CA 122.693 2.262 . . . . 11.77 112.534 179.92 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.639 0 N-CA-C 111.748 -0.541 . . . . 2.16 111.748 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.65 137.1 24.46 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.909 2.406 . . . . 1.39 112.426 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -103.89 111.03 23.39 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.498 -0.774 . . . . 1.13 109.691 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.452 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 58.3 m-70 -100.41 143.33 30.72 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.698 -0.482 . . . . 0.64 109.698 -175.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -91.68 147.34 23.07 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.018 -0.364 . . . . 2.93 110.018 177.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.41 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . . . -148.98 140.01 22.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.04 0.448 . . . . 1.12 111.101 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.6 m -116.1 152.2 17.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.945 -0.571 . . . . 1.05 109.871 173.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.776 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 172.98 -171.95 44.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.234 -0.984 . . . . 0.28 112.522 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.65 ' HG3' ' HG3' ' A' ' 53' ' ' ARG . 46.5 mtm180 -109.63 130.53 55.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.94 0.4 . . . . 3.71 110.392 -178.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.5 ' HB ' ' O ' ' A' ' 49' ' ' LYS . 39.8 mm -65.07 124.62 20.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 115.865 -0.607 . . . . 1.06 110.109 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -83.92 -51.14 7.4 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.31 -0.626 . . . . 1.15 109.31 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.4 m -159.97 163.42 34.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.803 -0.635 . . . . 1.05 110.211 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.819 HG23 HD22 ' A' ' 18' ' ' LEU . 93.1 mt -107.85 139.13 31.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.33 -0.619 . . . . 1.42 109.33 177.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -114.57 -162.57 14.11 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.764 -0.732 . . . . 1.06 112.788 -177.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -82.84 -42.16 18.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.156 0.503 . . . . 2.55 110.325 -178.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -139.15 5.89 2.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.807 -0.633 . . . . 4.52 111.244 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 p -155.45 145.77 21.85 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.903 -0.59 . . . . 1.27 109.757 176.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.819 HD22 HG23 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -120.72 141.83 50.08 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 109.383 -0.599 . . . . 1.62 109.383 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.518 HG21 HG23 ' A' ' 34' ' ' THR . 17.3 mt -91.13 126.77 43.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.33 -0.618 . . . . 1.26 109.33 178.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.8 mt -127.64 118.01 48.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.973 -0.558 . . . . 1.07 110.529 -176.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.705 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -73.18 91.03 1.62 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.052 -0.721 . . . . 1.1 109.052 169.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.776 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 25.7 p80 -88.96 151.07 22.52 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.059 -0.519 . . . . 0.38 111.153 -174.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -69.27 -165.18 0.07 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.011 -0.995 . . . . 3.05 111.401 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.575 ' O ' ' HD3' ' A' ' 26' ' ' PRO . . . -70.94 112.74 7.34 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 114.905 -1.043 . . . . 1.5 109.915 175.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.515 HG22 ' H ' ' A' ' 28' ' ' ALA . 60.6 mt -93.24 102.39 7.25 Favored Pre-proline 0 C--N 1.317 -0.838 0 CA-C-N 115.6 -0.727 . . . . 1.26 110.438 178.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.575 ' HD3' ' O ' ' A' ' 24' ' ' ALA . 2.8 Cg_exo -76.38 -8.67 18.59 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.614 2.209 . . . . 1.29 111.782 179.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.452 ' HB2' ' HB3' ' A' ' 4' ' ' HIS . 1.4 m -83.61 -25.14 31.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.148 -0.478 . . . . 1.43 110.513 178.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.515 ' H ' HG22 ' A' ' 25' ' ' ILE . . . -123.93 0.63 8.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.405 -0.361 . . . . 1.34 111.674 -177.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 64.04 30.39 14.0 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.974 0.416 . . . . 2.21 111.33 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 54.4 m0 -103.2 108.9 20.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.992 0.425 . . . . 1.12 109.891 178.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -89.16 68.87 2.68 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.829 -0.623 . . . . 1.67 113.143 -172.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.418 ' HA ' ' O ' ' A' ' 22' ' ' HIS . . . 70.58 119.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.65 0.738 . . . . 1.16 112.585 174.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.0 ptp -171.77 146.81 2.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.263 -0.88 . . . . 1.47 110.028 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.705 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 5.4 m -82.13 103.6 11.86 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.239 -0.437 . . . . 1.15 109.888 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.463 ' HE2' ' HB3' ' A' ' 35' ' ' MET . 65.2 mtp -116.98 165.08 13.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.935 0.397 . . . . 2.01 111.851 -175.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.405 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 35.7 tt0 -106.34 128.99 54.42 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.287 -0.869 . . . . 1.0 109.983 178.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -114.09 129.6 56.61 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.475 -0.33 . . . . 0.43 110.417 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.47 141.07 37.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.075 -0.511 . . . . 1.12 110.909 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.16 145.36 83.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.178 -0.465 . . . . 1.22 111.652 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.45 170.08 19.31 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.609 2.206 . . . . 1.49 111.217 173.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.57 -16.28 35.38 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 122.829 2.353 . . . . 2.4 113.166 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.1 -11.09 56.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.892 0.377 . . . . 1.64 111.256 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.09 -160.52 29.7 Favored Glycine 0 N--CA 1.435 -1.367 0 N-CA-C 111.229 -0.748 . . . . 1.0 111.229 -177.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.66 ' HG ' HD23 ' A' ' 18' ' ' LEU . 2.7 mm? -101.0 142.37 24.48 Favored Pre-proline 0 C--N 1.314 -0.964 0 CA-C-O 120.836 0.351 . . . . 1.53 110.66 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.506 ' HD2' HD23 ' A' ' 48' ' ' LEU . 52.2 Cg_endo -82.96 -160.96 0.13 Allowed 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 122.935 2.424 . . . . 0.92 111.503 170.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.405 HE21 ' HB2' ' A' ' 46' ' ' GLN . 0.9 OUTLIER -113.05 159.98 18.61 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.729 -0.668 . . . . 2.23 109.343 177.848 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.03 20.87 24.67 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.779 -0.724 . . . . 0.67 111.88 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.832 HD21 HG12 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -131.61 50.09 2.26 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.975 0.361 . . . . 1.65 111.975 -176.273 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.674 ' HA ' HD12 ' A' ' 13' ' ' ILE . 6.9 ptpp? -95.17 160.98 14.3 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.377 -0.529 . . . . 3.53 111.035 -173.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.04 111.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.405 -0.816 . . . . 1.1 111.3 176.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.23 -9.65 28.93 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.886 -0.673 . . . . 0.38 112.848 178.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.535 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 3.5 m-20 -82.76 144.56 30.1 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 117.138 0.469 . . . . 0.53 110.317 176.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.65 ' HG3' ' HG3' ' A' ' 9' ' ' ARG . 12.2 ttt180 -104.28 101.52 11.23 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.173 -1.047 . . . . 3.72 108.173 174.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.475 HG23 HD12 ' A' ' 10' ' ' ILE . 18.3 m -106.84 163.14 5.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 120.938 0.399 . . . . 1.11 111.35 -169.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -113.27 111.59 22.29 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.91 -0.774 . . . . 1.03 108.91 174.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.915 ' HB3' HG21 ' A' ' 71' ' ' VAL . 25.3 p90 -129.92 178.64 6.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.311 0.577 . . . . 0.43 112.506 -170.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.466 ' OG ' ' HB ' ' A' ' 69' ' ' VAL . 66.2 p -136.93 151.46 49.07 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.298 -0.865 . . . . 1.47 110.062 179.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.451 ' HA ' HG23 ' A' ' 69' ' ' VAL . 44.5 p90 -145.97 153.6 40.97 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.915 0.388 . . . . 0.5 110.38 177.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.459 ' HG3' ' CG2' ' A' ' 69' ' ' VAL . 83.8 mtt180 -114.8 137.3 52.1 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.685 -0.487 . . . . 3.57 109.685 177.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 65' ' ' MET . 14.1 mt -90.89 111.42 22.83 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.218 -0.66 . . . . 1.59 109.218 174.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -76.45 162.77 69.71 Favored Pre-proline 0 C--N 1.315 -0.904 0 N-CA-C 108.108 -1.071 . . . . 1.87 108.108 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -68.15 1.91 3.11 Favored 'Trans proline' 0 CA--C 1.527 0.133 0 C-N-CA 122.642 2.228 . . . . 1.81 112.885 -171.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.609 ' HB3' ' HG3' ' A' ' 65' ' ' MET . 17.0 t-80 -101.05 -11.66 19.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.836 -0.62 . . . . 2.88 109.507 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.13 31.56 8.42 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.171 -0.922 . . . . 1.2 111.347 -175.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.609 ' HG3' ' HB3' ' A' ' 63' ' ' HIS . 54.2 mtm -96.34 152.51 18.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.655 -0.272 . . . . 3.17 110.267 -177.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.61 97.13 5.83 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 109.073 -0.714 . . . . 1.18 109.073 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.9 m -110.07 125.51 53.04 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.495 -0.775 . . . . 1.4 110.751 -174.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.2 tp -70.43 137.82 50.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.533 -0.758 . . . . 1.82 110.105 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.466 ' HB ' ' OG ' ' A' ' 57' ' ' SER . 22.8 t -102.99 -63.22 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.201 0.524 . . . . 1.61 110.142 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.8 p -139.97 154.26 47.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.613 -0.721 . . . . 1.12 109.673 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.915 HG21 ' HB3' ' A' ' 56' ' ' PHE . 9.8 p -139.45 130.78 33.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.102 -0.703 . . . . 1.09 109.102 173.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -121.42 136.93 26.3 Favored Pre-proline 0 C--N 1.315 -0.915 0 N-CA-C 109.958 -0.386 . . . . 1.07 109.958 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -66.42 103.64 0.68 Allowed 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 122.013 1.809 . . . . 1.22 111.945 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.412 ' HG3' ' N ' ' A' ' 75' ' ' VAL . 8.7 pt20 -105.26 179.35 4.3 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 107.566 -1.272 . . . . 1.45 107.566 172.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.441 HG22 ' H ' ' A' ' 77' ' ' THR . 1.0 OUTLIER -134.25 139.94 47.08 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 N-CA-C 108.492 -0.929 . . . . 2.35 108.492 176.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -38.5 -37.72 0.33 Allowed 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.547 0.943 . . . . 2.92 113.547 -178.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.441 ' H ' HG22 ' A' ' 75' ' ' VAL . 35.6 p -62.41 -8.07 5.48 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 113.014 0.746 . . . . 4.2 113.014 -176.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.6 -18.0 58.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.743 0.306 . . . . 3.65 111.042 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -148.13 -35.59 0.05 OUTLIER Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.801 -0.714 . . . . 5.36 112.449 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -100.05 169.71 8.99 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.686 0.279 . . . . 7.0 110.255 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.739 ' HZ3' ' HB3' ' A' ' 81' ' ' LYS . 9.3 mtpm? -102.64 132.33 21.42 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.328 -0.396 . . . . 11.04 110.697 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.41 ' HD3' HG23 ' A' ' 77' ' ' THR . 44.8 Cg_endo . . . . . 0 C--O 1.253 1.268 0 C-N-CA 122.579 2.186 . . . . 11.77 111.27 172.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.429 ' HA2' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.485 1.904 0 N-CA-C 111.878 -0.489 . . . . 2.16 111.878 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.429 ' HD3' ' HA2' ' A' ' 1' ' ' GLY . 3.0 Cg_exo -74.57 -178.0 3.74 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.802 2.335 . . . . 1.39 112.332 -177.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 58' ' ' PHE . 36.9 tt0 -77.69 136.5 38.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.171 -0.468 . . . . 1.13 110.297 178.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -126.21 143.41 51.15 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.886 -0.783 . . . . 0.64 108.886 175.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.544 ' HD2' ' HB3' ' A' ' 57' ' ' SER . 16.7 mmm180 -83.43 133.76 34.91 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.92 -0.4 . . . . 2.93 109.92 177.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.464 ' HB2' ' CE2' ' A' ' 56' ' ' PHE . . . -137.51 141.19 41.48 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-O 121.165 0.507 . . . . 1.12 110.603 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.9 m -119.23 149.43 21.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.876 -0.602 . . . . 1.05 109.918 173.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.507 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -179.12 -160.22 24.61 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.578 -0.82 . . . . 0.28 112.284 179.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.2 ttm-85 -128.17 132.18 48.88 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.95 -0.389 . . . . 3.71 109.95 -177.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.56 HD12 HG21 ' A' ' 54' ' ' VAL . 30.4 mm -63.12 131.37 28.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.923 -0.581 . . . . 1.06 110.12 -178.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -98.45 -41.85 7.6 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.582 -0.525 . . . . 1.15 109.582 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -155.95 163.44 39.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.923 -0.581 . . . . 1.05 109.587 174.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 13' ' ' ILE . 14.5 mm -115.7 153.88 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.431 0.634 . . . . 1.42 111.408 -178.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.586 ' HA3' ' O ' ' A' ' 17' ' ' SER . . . -149.04 159.61 28.1 Favored Glycine 0 N--CA 1.437 -1.259 0 N-CA-C 110.217 -1.153 . . . . 1.06 110.217 176.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.427 ' H ' ' CD ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -72.75 -31.36 64.88 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 120.969 0.414 . . . . 2.55 110.754 -175.816 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.63 -4.96 4.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.093 -0.503 . . . . 4.52 111.974 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.586 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 2.3 p -158.73 137.87 11.42 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.289 -0.263 . . . . 1.27 110.289 176.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.625 HD22 ' HG ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -142.36 148.54 38.08 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.256 0.55 . . . . 1.62 111.598 -176.747 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.528 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 38.8 mt -94.29 128.5 45.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.409 -0.814 . . . . 1.26 110.489 -174.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.9 mt -129.1 124.51 60.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.098 0.475 . . . . 1.07 110.96 -178.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.479 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -76.88 92.28 3.63 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.324 -0.621 . . . . 1.1 109.324 171.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.507 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 31.5 p80 -92.51 153.28 19.18 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.988 -0.551 . . . . 0.38 110.313 -177.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -72.08 -166.03 0.21 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.025 -0.534 . . . . 3.05 110.213 174.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.41 -25.76 66.92 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.954 0.353 . . . . 1.5 111.954 -173.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.9 mt 62.7 83.77 0.2 Allowed Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 120.889 0.376 . . . . 1.26 110.779 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.44 -16.58 55.47 Favored 'Trans proline' 0 CA--C 1.526 0.116 0 C-N-CA 122.602 2.201 . . . . 1.29 112.123 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.3 t -75.46 -22.12 57.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.985 -0.552 . . . . 1.43 110.808 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.3 -3.69 8.43 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.474 0.546 . . . . 1.34 112.474 -174.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 60.27 41.61 16.27 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.47 0.653 . . . . 2.21 110.722 -178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -96.05 176.28 6.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.341 -0.845 . . . . 1.12 110.88 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -102.42 166.75 17.37 Favored Glycine 0 N--CA 1.441 -1.013 0 C-N-CA 120.535 -0.84 . . . . 1.67 111.113 170.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.98 111.14 18.57 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.525 -0.546 . . . . 1.16 109.525 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 6.4 ptt? -158.97 159.29 34.69 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.258 0.551 . . . . 1.47 111.277 -172.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.479 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 21.9 m -92.56 104.32 16.64 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.135 -0.939 . . . . 1.15 110.628 -176.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.6 mmm -122.97 163.83 19.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.899 -0.591 . . . . 2.01 111.196 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.528 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 42.6 tt0 -101.22 140.18 35.87 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.701 -0.682 . . . . 1.0 110.934 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -115.54 139.24 50.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.661 -0.7 . . . . 0.43 110.188 -177.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.02 129.23 35.01 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.951 -0.568 . . . . 1.12 109.985 177.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.92 152.64 44.64 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 116.369 -0.378 . . . . 1.22 111.11 -175.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 36.7 Cg_exo -58.05 145.26 92.67 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.613 2.208 . . . . 1.49 111.448 173.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 40' ' ' PRO . 32.6 Cg_exo -60.32 -14.62 30.6 Favored 'Trans proline' 0 CA--C 1.53 0.323 0 C-N-CA 122.871 2.381 . . . . 2.4 112.617 178.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.29 -3.79 59.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.91 0.386 . . . . 1.64 110.959 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.14 177.62 47.47 Favored Glycine 0 N--CA 1.439 -1.12 0 C-N-CA 120.907 -0.663 . . . . 1.0 112.669 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.625 ' HG ' HD22 ' A' ' 18' ' ' LEU . 2.7 mm? -96.46 157.07 36.04 Favored Pre-proline 0 C--N 1.317 -0.843 0 CA-C-N 115.182 -0.509 . . . . 1.53 110.746 -178.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.553 ' HD2' HD21 ' A' ' 48' ' ' LEU . 12.6 Cg_exo -71.46 -163.78 0.14 Allowed 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.673 2.249 . . . . 0.92 111.727 170.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.97 156.26 25.39 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.666 -0.697 . . . . 2.23 110.151 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.86 16.19 42.76 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.672 -0.775 . . . . 0.67 112.383 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.553 HD21 ' HD2' ' A' ' 45' ' ' PRO . 0.9 OUTLIER -138.53 53.42 1.79 Allowed 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 121.116 0.484 . . . . 1.65 111.624 -175.705 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -96.3 170.45 9.23 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.343 -0.39 . . . . 3.53 110.867 -177.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.2 115.58 1.04 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.779 -0.646 . . . . 1.1 111.374 176.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.19 -15.93 25.18 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.164 -0.541 . . . . 0.38 112.822 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -84.85 157.81 20.81 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.15 0.5 . . . . 0.53 111.795 -177.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.75 ' HD3' ' HA ' ' A' ' 76' ' ' GLN . 26.0 ttt85 -104.01 127.26 51.56 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.418 -0.81 . . . . 3.72 109.013 172.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.569 HG13 ' HA ' ' A' ' 73' ' ' PRO . 15.7 m -132.36 158.06 43.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.922 0.391 . . . . 1.11 111.361 -177.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -115.36 118.18 32.52 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.917 -0.772 . . . . 1.03 108.917 174.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.734 ' HB3' HG23 ' A' ' 71' ' ' VAL . 27.9 p90 -135.54 174.08 11.0 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.56 0.578 . . . . 0.43 112.56 -169.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.544 ' HB3' ' HD2' ' A' ' 5' ' ' ARG . 90.0 p -135.83 147.3 48.23 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.336 -0.847 . . . . 1.47 109.232 175.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' A' ' 3' ' ' GLU . 38.5 p90 -141.45 150.25 42.03 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.66 -0.416 . . . . 0.5 111.156 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -104.33 147.03 27.97 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.405 -0.816 . . . . 3.57 109.36 174.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 60' ' ' LEU . 19.6 mt -107.33 130.69 54.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.102 0.477 . . . . 1.59 112.023 -175.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.401 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 52.2 m-20 -89.96 166.63 19.66 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.419 -0.809 . . . . 1.87 108.945 172.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.401 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 10.4 Cg_exo -72.2 1.16 6.32 Favored 'Trans proline' 0 N--CA 1.464 -0.234 0 C-N-CA 123.183 2.588 . . . . 1.81 112.485 -177.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -99.25 -0.75 40.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.224 -0.444 . . . . 2.88 110.345 175.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.66 24.86 57.72 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 111.102 -0.799 . . . . 1.2 111.102 -175.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.857 ' HE2' ' HA ' ' A' ' 65' ' ' MET . 9.5 mmt -87.88 146.07 25.75 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 109.687 -0.486 . . . . 3.17 109.687 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.27 106.83 13.19 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.168 0.509 . . . . 1.18 109.984 -173.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.15 118.31 34.48 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.904 -0.589 . . . . 1.4 110.267 -177.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.539 HD11 ' HB2' ' A' ' 56' ' ' PHE . 30.7 tp -72.28 114.22 10.17 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.802 -0.635 . . . . 1.82 110.558 -175.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 18.7 t -85.25 -57.75 4.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.815 -0.63 . . . . 1.61 110.137 -177.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.1 p -140.08 148.38 41.66 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.894 -0.594 . . . . 1.12 109.677 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.734 HG23 ' HB3' ' A' ' 56' ' ' PHE . 13.8 p -146.79 123.54 3.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.315 0.579 . . . . 1.09 110.568 173.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -112.95 131.95 22.55 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 115.782 -0.645 . . . . 1.07 110.095 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.569 ' HA ' HG13 ' A' ' 54' ' ' VAL . 55.5 Cg_exo -52.52 114.61 1.75 Allowed 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.826 2.351 . . . . 1.22 111.95 177.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.552 ' H ' ' HA ' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -88.46 174.47 8.1 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.758 -0.655 . . . . 1.45 110.493 -179.617 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.422 ' O ' ' HG3' ' A' ' 76' ' ' GLN . 5.1 m -137.76 93.01 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.036 0 CA-C-N 114.808 -1.087 . . . . 2.35 108.398 175.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.75 ' HA ' ' HD3' ' A' ' 53' ' ' ARG . 6.9 pt20 48.0 -153.14 0.09 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.32 -0.854 . . . . 2.92 110.722 -174.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.41 ' H ' ' HB2' ' A' ' 76' ' ' GLN . 4.0 m -77.59 101.88 6.74 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 108.536 -0.913 . . . . 4.2 108.536 172.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.9 21.63 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.76 -0.655 . . . . 3.65 112.459 -172.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 144.02 -151.16 23.17 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.644 -0.789 . . . . 5.36 112.091 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -137.46 147.13 45.08 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.216 -0.29 . . . . 7.0 110.216 -178.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -104.84 132.74 20.62 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.32 -0.4 . . . . 11.04 110.877 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo . . . . . 0 C--O 1.248 1.007 0 C-N-CA 122.702 2.268 . . . . 11.77 111.274 172.33 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 60' ' ' LEU . . . . . . . . 0 N--CA 1.482 1.733 0 N-CA-C 111.921 -0.472 . . . . 2.16 111.921 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.25 146.45 57.23 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.804 2.336 . . . . 1.39 112.875 -177.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -112.38 133.06 54.68 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.313 -0.625 . . . . 1.13 109.313 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.497 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 91.7 m-70 -134.1 159.46 40.77 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.345 -0.242 . . . . 0.64 110.345 -174.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.762 ' HG2' ' HB3' ' A' ' 57' ' ' SER . 50.6 mtt-85 -107.27 158.9 16.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.755 0.312 . . . . 2.93 111.176 178.076 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -158.87 153.73 24.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.611 -0.722 . . . . 1.12 110.168 177.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.464 ' O ' ' HG3' ' A' ' 23' ' ' GLU . 29.1 m -117.75 147.48 21.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.604 -0.517 . . . . 1.05 109.604 173.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -169.19 176.17 43.34 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 119.867 -1.158 . . . . 0.28 113.097 -176.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -110.52 129.89 55.69 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.196 -1.038 . . . . 3.71 108.196 175.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.571 ' HB ' ' O ' ' A' ' 49' ' ' LYS . 41.7 mm -60.3 128.09 20.81 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-O 121.126 0.489 . . . . 1.06 110.814 -176.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -88.68 -43.81 11.04 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.438 -0.801 . . . . 1.15 109.496 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.0 t -172.45 158.02 4.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.903 -0.589 . . . . 1.05 110.49 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.819 HG22 HD22 ' A' ' 18' ' ' LEU . 71.5 mt -107.59 134.0 50.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.986 -0.552 . . . . 1.42 110.123 178.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.8 -159.45 20.58 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.126 -0.559 . . . . 1.06 112.418 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.69 -45.77 42.18 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.442 0.639 . . . . 2.55 109.764 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.01 15.05 1.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.056 -0.975 . . . . 4.52 110.738 -177.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.55 ' HB2' ' HG2' ' A' ' 36' ' ' GLU . 3.2 p -157.27 142.88 17.43 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.712 -0.676 . . . . 1.27 109.693 179.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.819 HD22 HG22 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -125.63 141.13 52.18 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 120.518 -0.473 . . . . 1.62 110.052 -177.749 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.632 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 21.5 mt -88.7 128.58 40.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 108.933 -0.765 . . . . 1.26 108.933 178.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 56.4 mt -126.36 125.52 67.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.592 -0.276 . . . . 1.07 110.693 -177.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.93 91.24 3.01 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.947 -0.76 . . . . 1.1 108.947 172.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -95.98 159.93 14.72 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.75 -0.659 . . . . 0.38 110.583 -177.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 7' ' ' VAL . 1.3 pp20? -65.7 -165.69 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.412 -0.813 . . . . 3.05 111.364 175.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.574 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -61.95 -38.81 89.91 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.334 0.494 . . . . 1.5 112.334 -172.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.415 HD12 ' CE3' ' A' ' 30' ' ' TRP . 18.1 mt 70.72 83.49 0.16 Allowed Pre-proline 0 C--N 1.318 -0.774 0 CA-C-N 115.797 -0.638 . . . . 1.26 110.322 -172.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -70.26 -2.03 9.86 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 123.228 2.618 . . . . 1.29 111.383 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.497 ' CB ' ' HB3' ' A' ' 4' ' ' HIS . 16.4 m -89.6 -21.49 22.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.239 -0.891 . . . . 1.43 110.821 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.27 1.72 9.1 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.064 -0.255 . . . . 1.34 111.658 -176.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 64.7 32.72 11.04 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.366 0.416 . . . . 2.21 111.301 177.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.415 ' CE3' HD12 ' A' ' 25' ' ' ILE . 53.5 m0 -95.16 173.05 7.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.332 -0.395 . . . . 1.12 110.268 177.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -125.02 42.71 1.48 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.451 -0.881 . . . . 1.67 113.381 -175.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.574 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 66.3 114.08 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.012 0.525 . . . . 1.16 112.364 175.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 19.9 ptt? -163.02 158.07 21.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.119 -0.491 . . . . 1.47 110.834 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.97 104.4 8.51 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 115.73 -0.668 . . . . 1.15 110.983 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.401 ' HE1' ' HB2' ' A' ' 35' ' ' MET . 30.2 ttm -120.02 141.99 49.22 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.084 -0.507 . . . . 2.01 111.59 -176.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.632 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 39.8 tt0 -94.02 121.47 35.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.336 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -102.01 136.35 41.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.197 -0.456 . . . . 0.43 110.386 -177.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.89 136.63 40.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.048 -0.524 . . . . 1.12 110.671 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.84 140.42 77.73 Favored Pre-proline 0 C--O 1.235 0.335 0 CA-C-O 120.874 0.368 . . . . 1.22 111.421 -177.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -68.78 159.67 52.79 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.744 2.296 . . . . 1.49 111.407 175.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -59.5 -17.17 39.68 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 123.061 2.508 . . . . 2.4 113.01 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.0 -14.72 53.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.566 -0.288 . . . . 1.64 111.67 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.82 178.43 34.98 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.656 -0.783 . . . . 1.0 111.997 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -96.95 139.63 21.66 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-O 120.991 0.424 . . . . 1.53 110.848 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.496 ' HD2' HD22 ' A' ' 48' ' ' LEU . 51.0 Cg_exo -59.81 -178.59 0.18 Allowed 'Trans proline' 0 CA--C 1.519 -0.259 0 C-N-CA 123.927 3.085 . . . . 0.92 113.482 170.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.872 HE21 ' HA ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -114.47 112.5 23.09 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 114.745 -1.116 . . . . 2.23 109.585 177.541 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 135.71 27.07 0.45 Allowed Glycine 0 C--N 1.31 -0.874 0 CA-C-N 114.703 -1.135 . . . . 0.67 111.633 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.496 HD22 ' HD2' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -135.35 48.98 2.21 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 111.886 0.328 . . . . 1.65 111.886 -176.633 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.571 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 7.7 ptpp? -95.71 167.89 11.0 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.016 -0.364 . . . . 3.53 110.016 -177.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.86 112.0 0.5 Allowed 'General case' 0 C--O 1.233 0.193 0 O-C-N 123.324 0.39 . . . . 1.1 111.202 176.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 110.08 -13.72 31.42 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.849 -0.691 . . . . 0.38 112.928 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.461 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 94.8 m-20 -83.22 140.69 32.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 117.003 0.402 . . . . 0.53 110.183 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.477 ' HB3' ' HG2' ' A' ' 74' ' ' GLN . 0.4 OUTLIER -97.55 123.55 41.48 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.594 -0.521 . . . . 3.72 109.594 174.892 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.69 HG13 ' HA ' ' A' ' 73' ' ' PRO . 15.0 m -128.33 151.39 35.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-O 121.042 0.449 . . . . 1.11 111.448 -176.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.97 123.13 48.63 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.621 -0.881 . . . . 1.03 108.621 174.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.682 ' HB3' HG21 ' A' ' 71' ' ' VAL . 17.8 p90 -141.71 172.43 12.7 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.917 0.71 . . . . 0.43 112.917 -168.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.762 ' HB3' ' HG2' ' A' ' 5' ' ' ARG . 12.4 p -131.46 144.78 51.41 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 114.776 -1.102 . . . . 1.47 109.504 173.329 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -130.39 148.61 52.23 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.232 -0.44 . . . . 0.5 109.972 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 59' ' ' ARG . 22.6 ttp180 -114.77 118.63 34.13 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.986 -0.552 . . . . 3.57 109.864 -178.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.417 ' O ' ' HA3' ' A' ' 1' ' ' GLY . 14.6 mt -89.58 141.6 28.45 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 115.63 -0.714 . . . . 1.59 110.292 -178.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.523 ' CG ' ' HG2' ' A' ' 65' ' ' MET . 8.1 p-10 -103.36 169.64 7.16 Favored Pre-proline 0 C--N 1.316 -0.858 0 N-CA-C 109.68 -0.489 . . . . 1.87 109.68 173.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.423 ' CD ' ' HB2' ' A' ' 61' ' ' ASP . 17.4 Cg_exo -65.22 -11.59 30.79 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.879 2.386 . . . . 1.81 111.747 -179.017 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -85.21 -26.97 26.41 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.315 -0.624 . . . . 2.88 109.315 -178.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.01 30.21 5.52 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.337 -0.847 . . . . 1.2 112.723 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.523 ' HG2' ' CG ' ' A' ' 61' ' ' ASP . 25.4 ptm -102.57 139.69 37.83 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.246 -0.65 . . . . 3.17 109.246 176.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -106.38 102.87 12.24 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.341 0.591 . . . . 1.18 109.599 -177.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.79 133.56 42.93 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.594 -0.73 . . . . 1.4 110.238 -175.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 26.3 tp -76.0 121.33 22.57 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.114 -0.494 . . . . 1.82 109.859 -178.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.3 t -89.12 -63.14 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.357 0.599 . . . . 1.61 110.044 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.4 p -144.91 144.24 30.98 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.348 -0.842 . . . . 1.12 109.646 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.682 HG21 ' HB3' ' A' ' 56' ' ' PHE . 9.4 p -141.14 129.01 22.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 109.77 -0.456 . . . . 1.09 109.77 178.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -120.66 127.36 26.3 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 116.094 -0.503 . . . . 1.07 110.128 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.69 ' HA ' HG13 ' A' ' 54' ' ' VAL . 60.8 Cg_exo -52.5 122.15 10.31 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.596 2.197 . . . . 1.22 111.539 177.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.477 ' HG2' ' HB3' ' A' ' 53' ' ' ARG . 0.6 OUTLIER -103.74 176.58 5.1 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.378 -0.601 . . . . 1.45 109.378 -178.092 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.496 ' O ' ' HB2' ' A' ' 76' ' ' GLN . 12.2 m -133.81 70.58 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.151 0 CA-C-N 115.453 -0.794 . . . . 2.35 109.132 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.496 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 15.6 mm100 71.34 -174.61 0.17 Allowed 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 114.652 -1.158 . . . . 2.92 109.26 -171.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.9 m -66.52 96.75 0.39 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.314 0.578 . . . . 4.2 111.262 -174.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -129.48 93.24 3.5 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.192 -0.913 . . . . 3.65 109.619 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -95.05 153.91 20.98 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.686 -0.769 . . . . 5.36 112.72 -175.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.443 ' O ' ' HD3' ' A' ' 82' ' ' PRO . . . 63.57 -163.34 0.27 Allowed 'General case' 0 C--O 1.234 0.237 0 C-N-CA 123.096 0.558 . . . . 7.0 111.215 176.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -96.29 108.35 41.16 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.364 -0.38 . . . . 11.04 110.732 175.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.443 ' HD3' ' O ' ' A' ' 80' ' ' ALA . 27.6 Cg_exo . . . . . 0 C--O 1.248 1.009 0 C-N-CA 122.799 2.333 . . . . 11.77 111.385 174.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.65 0 N-CA-C 111.865 -0.494 . . . . 2.16 111.865 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -67.16 138.58 47.7 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.737 2.291 . . . . 1.39 112.646 -177.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.435 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 35.9 tt0 -91.8 132.33 36.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.812 -0.631 . . . . 1.13 110.324 -179.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.467 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 79.8 m-70 -128.33 163.37 24.95 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.687 -0.486 . . . . 0.64 109.687 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.571 ' HD2' ' HB3' ' A' ' 57' ' ' SER . 18.8 mmm180 -95.77 147.39 23.68 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.519 -0.178 . . . . 2.93 110.519 179.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.44 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . . . -154.72 147.12 23.97 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.328 0.585 . . . . 1.12 111.446 176.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.0 m -119.91 158.14 21.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.507 -0.769 . . . . 1.05 110.287 173.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.66 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 172.35 -168.36 41.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.409 -0.9 . . . . 0.28 112.712 178.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -112.32 134.73 53.69 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.69 -0.485 . . . . 3.71 109.69 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.599 HD13 ' CG2' ' A' ' 54' ' ' VAL . 36.3 mm -66.88 132.41 32.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 N-CA-C 109.948 -0.39 . . . . 1.06 109.948 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -96.9 -48.69 5.33 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.289 -0.634 . . . . 1.15 109.289 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.0 m -159.98 146.49 15.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.759 -0.655 . . . . 1.05 109.984 174.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.715 HG22 HD21 ' A' ' 18' ' ' LEU . 22.9 mt -102.99 134.61 43.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.443 -0.344 . . . . 1.42 110.147 175.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -111.96 -175.16 19.81 Favored Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 111.535 -0.626 . . . . 1.06 111.535 175.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -83.93 -16.96 42.3 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.959 0.409 . . . . 2.55 110.705 -177.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -146.82 -6.73 0.5 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.95 -0.568 . . . . 4.52 111.938 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 p -155.33 140.05 17.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.809 0.338 . . . . 1.27 110.63 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.715 HD21 HG22 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -123.04 130.4 52.75 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.898 -0.592 . . . . 1.62 109.939 -177.677 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 58.1 mt -82.48 123.08 38.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 109.036 -0.727 . . . . 1.26 109.036 174.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.406 ' HB ' ' CE1' ' A' ' 37' ' ' PHE . 78.9 mt -128.35 132.46 68.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.944 0.402 . . . . 1.07 110.853 -177.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.01 89.52 7.62 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 109.311 -0.626 . . . . 1.1 109.311 172.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.66 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 26.4 p80 -85.68 156.01 20.84 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.424 -0.807 . . . . 0.38 109.848 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -70.99 -158.95 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.3 -0.259 . . . . 3.05 110.3 176.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.72 -47.29 82.83 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.555 0.576 . . . . 1.5 112.555 -172.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.418 HG21 ' H ' ' A' ' 28' ' ' ALA . 16.3 mt 68.72 92.61 0.06 OUTLIER Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 120.969 0.414 . . . . 1.26 110.981 -174.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -65.48 -35.35 39.34 Favored 'Trans proline' 0 CA--C 1.527 0.15 0 C-N-CA 122.614 2.209 . . . . 1.29 112.47 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.467 ' HB2' ' HB3' ' A' ' 4' ' ' HIS . 4.9 m -66.99 -25.45 66.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.478 -0.328 . . . . 1.43 111.663 -176.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.418 ' H ' HG21 ' A' ' 25' ' ' ILE . . . -107.34 -2.51 20.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.871 0.367 . . . . 1.34 110.707 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 55.16 39.87 31.59 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.517 -0.765 . . . . 2.21 111.387 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 39.7 m0 -94.97 173.8 7.41 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.873 -0.603 . . . . 1.12 110.202 177.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.08 39.31 2.04 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.799 -0.715 . . . . 1.67 112.156 -177.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 70.04 123.34 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.42 0.688 . . . . 1.16 111.634 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 21.9 ptt? -172.09 154.35 3.39 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.151 -0.477 . . . . 1.47 110.751 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.28 106.15 5.78 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 115.909 -0.587 . . . . 1.15 110.998 178.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.4 mmm -118.44 156.79 28.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.363 -0.38 . . . . 2.01 110.924 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -97.94 125.12 42.7 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.536 -0.757 . . . . 1.0 110.017 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.818 ' HB3' ' HG ' ' A' ' 68' ' ' LEU . 74.4 m-85 -104.84 130.02 53.05 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.721 -0.672 . . . . 0.43 110.531 -178.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.83 139.49 41.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.244 -0.435 . . . . 1.12 110.335 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.35 144.66 28.31 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.418 -0.356 . . . . 1.22 110.977 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -61.9 149.45 90.15 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.475 2.117 . . . . 1.49 110.981 172.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -57.27 -20.33 38.63 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.072 2.515 . . . . 2.4 113.175 -176.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.75 -22.93 61.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.482 -0.326 . . . . 1.64 111.344 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.41 171.48 32.05 Favored Glycine 0 N--CA 1.442 -0.963 0 C-N-CA 120.623 -0.798 . . . . 1.0 112.259 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.428 HD22 HD22 ' A' ' 18' ' ' LEU . 2.5 mm? -91.8 152.2 42.91 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-O 120.725 0.297 . . . . 1.53 110.779 -176.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 6.6 Cg_exo -74.5 -165.96 0.3 Allowed 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 123.04 2.493 . . . . 0.92 111.641 172.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.7 160.78 20.24 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.124 -0.489 . . . . 2.23 110.463 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.61 13.1 65.74 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.778 -0.725 . . . . 0.67 111.807 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.498 ' O ' HD12 ' A' ' 13' ' ' ILE . 0.9 OUTLIER -136.52 45.13 2.34 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.363 0.601 . . . . 1.65 110.55 -178.729 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.585 ' HG3' ' OD2' ' A' ' 52' ' ' ASP . 4.5 pttp -96.11 -178.32 4.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.392 -0.822 . . . . 3.53 110.741 -174.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.03 117.2 1.99 Allowed 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.302 -0.408 . . . . 1.1 111.86 -178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.69 -20.63 29.26 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.883 -0.599 . . . . 0.38 112.712 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.585 ' OD2' ' HG3' ' A' ' 49' ' ' LYS . 8.8 m-20 -79.93 159.9 26.17 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.461 0.648 . . . . 0.53 111.437 -176.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.05 121.25 44.83 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.093 -0.958 . . . . 3.72 109.198 177.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.62 HG13 ' HA ' ' A' ' 73' ' ' PRO . 12.5 m -130.26 150.44 34.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.281 0.563 . . . . 1.11 112.058 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.49 118.93 38.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.282 -0.872 . . . . 1.03 108.803 175.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.715 ' HB3' HG21 ' A' ' 71' ' ' VAL . 27.1 p90 -136.09 167.49 21.16 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.258 0.836 . . . . 0.43 113.258 -168.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.571 ' HB3' ' HD2' ' A' ' 5' ' ' ARG . 73.0 p -121.4 142.14 50.29 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 114.925 -1.034 . . . . 1.47 109.228 170.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -144.43 160.33 41.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.395 -0.366 . . . . 0.5 110.029 -177.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.435 ' HA ' ' HA ' ' A' ' 3' ' ' GLU . 7.6 mtm180 -104.48 162.16 13.48 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.468 -0.493 . . . . 3.57 109.84 176.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' A' ' 65' ' ' MET . 13.3 mt -109.85 116.36 31.51 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.819 -0.628 . . . . 1.59 110.267 170.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.567 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 28.8 m-20 -82.86 168.01 25.85 Favored Pre-proline 0 C--N 1.318 -0.784 0 N-CA-C 108.493 -0.928 . . . . 1.87 108.493 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.49 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 52.9 Cg_exo -55.08 -23.39 35.48 Favored 'Trans proline' 0 CA--C 1.535 0.535 0 C-N-CA 122.737 2.291 . . . . 1.81 114.53 -168.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -88.59 -9.85 50.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.997 0.427 . . . . 2.88 111.168 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.28 28.49 9.12 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.482 -1.047 . . . . 1.2 110.482 -172.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.567 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 80.9 mtp -88.91 146.46 24.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.919 -0.64 . . . . 3.17 110.123 -177.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.436 ' O ' ' HA ' ' A' ' 37' ' ' PHE . . . -108.94 121.16 44.54 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.261 -0.427 . . . . 1.18 110.654 -176.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.8 t -120.21 126.05 49.67 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 110.005 -0.369 . . . . 1.4 110.005 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.818 ' HG ' ' HB3' ' A' ' 37' ' ' PHE . 61.6 mt -72.11 141.73 49.17 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.897 0.38 . . . . 1.82 110.523 -177.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.9 t -111.72 -54.75 4.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-N 115.889 -0.596 . . . . 1.61 109.708 177.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.0 p -146.29 143.38 29.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.593 -0.731 . . . . 1.12 109.819 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.715 HG21 ' HB3' ' A' ' 56' ' ' PHE . 10.4 p -142.04 132.95 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.338 0.589 . . . . 1.09 111.406 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.86 132.7 24.25 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.822 -0.627 . . . . 1.07 110.245 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.62 ' HA ' HG13 ' A' ' 54' ' ' VAL . 48.5 Cg_exo -58.72 127.67 25.33 Favored 'Trans proline' 0 CA--C 1.528 0.202 0 C-N-CA 122.954 2.436 . . . . 1.22 112.279 178.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.492 ' HG2' ' C ' ' A' ' 54' ' ' VAL . 1.1 pt20 -118.77 175.2 5.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.797 -0.638 . . . . 1.45 109.934 -178.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.454 ' O ' ' HB2' ' A' ' 76' ' ' GLN . 11.6 m -135.93 74.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-N 115.343 -0.844 . . . . 2.35 109.015 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.454 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 15.6 mm100 69.08 163.73 0.24 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 114.852 -1.067 . . . . 2.92 108.535 -166.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 32.9 m -61.05 99.18 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.667 0.746 . . . . 4.2 110.814 -178.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.56 10.01 34.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.796 -1.093 . . . . 3.65 110.58 -177.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 84.31 -74.23 2.54 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 115.726 -0.67 . . . . 5.36 111.642 -176.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 56.02 67.08 1.05 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.554 0.693 . . . . 7.0 110.802 -178.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.72 159.4 31.1 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.29 -0.868 . . . . 11.04 109.347 -179.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo . . . . . 0 C--O 1.251 1.161 0 C-N-CA 122.829 2.353 . . . . 11.77 112.254 176.134 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' A' ' 60' ' ' LEU . . . . . . . . 0 N--CA 1.482 1.737 0 N-CA-C 111.538 -0.625 . . . . 2.16 111.538 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.28 139.83 92.03 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.982 2.454 . . . . 1.39 112.403 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -86.74 130.71 34.37 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.091 -0.504 . . . . 1.13 110.441 -177.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 49.1 m-70 -128.15 150.69 49.88 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.226 -1.028 . . . . 0.64 108.226 177.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.485 ' HG2' ' HB3' ' A' ' 57' ' ' SER . 39.9 mtp180 -97.25 155.45 16.86 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.344 -0.543 . . . . 2.93 111.688 178.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.441 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . . . -159.75 159.49 32.84 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.323 -0.853 . . . . 1.12 110.662 176.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.508 ' HB ' ' NE2' ' A' ' 74' ' ' GLN . 29.9 m -123.42 146.86 28.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.626 -0.716 . . . . 1.05 109.375 172.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.66 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -169.22 178.22 42.51 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.045 -1.074 . . . . 0.28 112.868 -179.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -112.16 135.8 52.36 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.856 -0.424 . . . . 3.71 109.856 -178.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.0 mm -71.93 135.3 28.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 116.227 -0.442 . . . . 1.06 110.818 -177.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.559 HE21 ' HB3' ' A' ' 21' ' ' ALA . 83.0 mm-40 -95.71 -46.0 6.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.954 -0.567 . . . . 1.15 109.824 174.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.425 ' HG ' ' C ' ' A' ' 11' ' ' GLN . 20.0 m -159.39 159.25 33.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.58 -0.736 . . . . 1.05 110.128 -178.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.853 HD11 ' HA ' ' A' ' 49' ' ' LYS . 54.1 mt -115.05 143.8 24.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.14 0.495 . . . . 1.42 111.374 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.442 ' H ' ' HB3' ' A' ' 18' ' ' LEU . . . -133.34 176.99 19.32 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 110.498 -1.041 . . . . 1.06 110.498 173.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -65.89 -49.74 66.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.192 0.496 . . . . 2.55 111.341 -178.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.425 ' NH1' ' HG ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -129.46 4.05 5.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.333 -0.394 . . . . 4.52 111.841 -174.767 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.425 ' HG ' ' NH1' ' A' ' 16' ' ' ARG . 6.3 p -155.6 143.48 19.81 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.075 0.464 . . . . 1.27 110.51 172.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.658 HD21 ' HG ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -150.05 155.04 39.18 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.778 -0.647 . . . . 1.62 110.472 -178.156 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.3 mt -97.15 128.52 48.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.304 -0.407 . . . . 1.26 110.702 -173.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 73.9 mt -129.55 127.97 65.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.143 -0.48 . . . . 1.07 110.853 -178.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.564 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -86.7 91.07 8.49 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.806 -0.813 . . . . 1.1 108.806 173.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.66 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 24.9 p80 -84.83 154.02 22.58 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.519 -0.764 . . . . 0.38 110.875 -176.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -66.15 -166.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.56 -0.745 . . . . 3.05 110.985 175.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.464 ' O ' ' HB2' ' A' ' 30' ' ' TRP . . . -56.33 -46.73 79.77 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.883 -0.598 . . . . 1.5 112.174 -176.186 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.461 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 27.6 mt 75.18 92.44 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.176 -0.465 . . . . 1.26 110.866 -177.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.77 -9.18 22.28 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.499 2.133 . . . . 1.29 112.19 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.423 ' HB3' ' HB3' ' A' ' 4' ' ' HIS . 49.9 m -80.08 -19.37 47.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.967 -0.56 . . . . 1.43 110.865 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.97 -9.53 7.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 1.34 111.44 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 64.76 34.09 9.79 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.231 -0.44 . . . . 2.21 111.15 -178.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.464 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 53.2 m0 -84.48 173.92 10.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.069 -0.514 . . . . 1.12 110.202 177.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.81 36.93 3.07 Favored Glycine 0 C--N 1.323 -0.193 0 C-N-CA 120.622 -0.799 . . . . 1.67 112.99 -176.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.452 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 69.02 128.8 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.263 0.625 . . . . 1.16 111.794 178.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 19.2 ptt? -171.73 146.47 2.12 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.915 -0.584 . . . . 1.47 111.045 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.564 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 21.0 m -75.05 108.66 7.93 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.388 -0.824 . . . . 1.15 110.277 178.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.2 mmm -127.03 158.23 37.49 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.157 -0.474 . . . . 2.01 111.56 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -90.71 136.82 32.82 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.345 -0.843 . . . . 1.0 109.872 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -115.32 138.83 50.55 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.195 -0.457 . . . . 0.43 109.84 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.82 132.23 42.75 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.82 -0.627 . . . . 1.12 110.219 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.06 155.86 37.74 Favored Pre-proline 0 C--N 1.316 -0.864 0 CA-C-N 116.2 -0.454 . . . . 1.22 110.35 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.55 159.53 53.14 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.539 2.16 . . . . 1.49 111.047 173.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -57.66 -15.51 20.98 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.034 2.489 . . . . 2.4 112.939 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.72 -36.35 78.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.474 . . . . 1.64 110.852 177.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.38 166.87 33.91 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.949 -0.644 . . . . 1.0 112.852 177.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.658 ' HG ' HD21 ' A' ' 18' ' ' LEU . 2.5 mm? -95.71 149.98 36.79 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-O 120.642 0.258 . . . . 1.53 111.029 -177.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -78.52 -164.14 0.26 Allowed 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.427 2.085 . . . . 0.92 111.741 172.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.428 HE21 ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -103.64 177.51 4.82 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.577 -0.527 . . . . 2.23 109.577 173.084 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.11 10.34 62.62 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.546 -0.835 . . . . 0.67 111.511 -177.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.484 ' HB3' HG13 ' A' ' 54' ' ' VAL . 1.7 pp -143.7 47.84 1.44 Allowed 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 122.665 0.386 . . . . 1.65 111.417 -176.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.853 ' HA ' HD11 ' A' ' 13' ' ' ILE . 9.3 ptpp? -94.21 167.02 11.82 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.541 -0.464 . . . . 3.53 110.237 -172.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.93 106.54 0.1 Allowed 'General case' 0 C--O 1.234 0.252 0 O-C-N 123.447 0.467 . . . . 1.1 111.221 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.84 -21.93 7.37 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.964 -0.636 . . . . 0.38 112.494 -177.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.493 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 7.0 m-20 -79.86 153.78 28.83 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 120.936 0.398 . . . . 0.53 110.577 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 53' ' ' ARG . 6.2 ttt180 -111.84 119.37 38.35 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.243 -1.021 . . . . 3.72 108.243 172.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.484 HG13 ' HB3' ' A' ' 48' ' ' LEU . 5.0 m -120.59 155.02 23.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 121.097 0.475 . . . . 1.11 111.679 -172.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.16 130.14 55.49 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.63 -0.878 . . . . 1.03 108.63 175.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.671 ' HB3' HG22 ' A' ' 71' ' ' VAL . 49.6 p90 -148.6 170.23 18.56 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.018 -0.673 . . . . 0.43 112.758 -168.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.485 ' HB3' ' HG2' ' A' ' 5' ' ' ARG . 80.5 p -128.78 137.39 51.51 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 114.834 -1.075 . . . . 1.47 109.045 171.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -134.89 154.21 51.76 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.14 -0.482 . . . . 0.5 110.228 -176.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.5 ' HG3' HG22 ' A' ' 69' ' ' VAL . 47.3 mtm-85 -103.89 124.64 49.33 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 120.734 0.302 . . . . 3.57 110.197 178.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.415 HD22 ' O ' ' A' ' 65' ' ' MET . 13.9 mt -89.46 110.88 21.66 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-N 115.907 -0.588 . . . . 1.59 109.968 176.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -79.07 161.4 68.4 Favored Pre-proline 0 C--N 1.315 -0.924 0 N-CA-C 108.939 -0.763 . . . . 1.87 108.939 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -67.02 1.3 2.94 Favored 'Trans proline' 0 CA--C 1.528 0.192 0 C-N-CA 123.223 2.616 . . . . 1.81 114.317 -166.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -104.41 -8.25 19.3 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.042 0.449 . . . . 2.88 110.656 178.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.66 33.81 6.27 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.593 -0.813 . . . . 1.2 111.209 -176.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.415 ' O ' HD22 ' A' ' 60' ' ' LEU . 26.1 mmt -97.48 145.78 25.87 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.23 -0.656 . . . . 3.17 109.23 178.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.18 97.4 6.04 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.197 -0.668 . . . . 1.18 109.197 -174.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.7 m -101.45 115.66 31.01 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.519 -0.764 . . . . 1.4 110.699 -175.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.7 tp -72.03 122.07 20.27 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.199 -0.909 . . . . 1.82 110.862 -174.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.5 HG22 ' HG3' ' A' ' 59' ' ' ARG . 25.0 t -94.94 -56.65 5.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.849 -0.614 . . . . 1.61 110.226 -178.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.85 135.64 22.23 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.635 -0.711 . . . . 1.12 110.8 -176.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.671 HG22 ' HB3' ' A' ' 56' ' ' PHE . 7.5 p -138.1 135.77 44.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.018 0.437 . . . . 1.09 110.808 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -124.26 146.19 50.93 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.96 -0.564 . . . . 1.07 110.374 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -66.99 114.73 3.28 Favored 'Trans proline' 0 N--CA 1.46 -0.441 0 C-N-CA 122.212 1.941 . . . . 1.22 112.62 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.508 ' NE2' ' HB ' ' A' ' 7' ' ' VAL . 10.5 pt20 -109.44 179.05 4.25 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.884 -0.784 . . . . 1.45 108.884 174.159 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 p -137.49 96.09 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 N-CA-C 108.801 -0.815 . . . . 2.35 108.801 -176.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 67.75 -90.2 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 114.024 -1.443 . . . . 2.92 111.643 -173.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.3 m -134.39 93.8 3.12 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 115.822 -0.626 . . . . 4.2 110.401 -178.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.83 86.37 2.81 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.466 -0.788 . . . . 3.65 110.32 175.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -83.97 74.15 2.55 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.843 -0.694 . . . . 5.36 112.159 -178.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -146.41 146.42 30.61 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.169 -0.308 . . . . 7.0 110.169 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.462 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 13.6 mmmm -109.0 137.89 20.23 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.492 -0.322 . . . . 11.04 110.461 177.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 81' ' ' LYS . 3.8 Cg_endo . . . . . 0 C--O 1.25 1.107 0 C-N-CA 123.043 2.495 . . . . 11.77 111.305 175.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.438 ' HA3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.623 0 CA-C-O 120.169 -0.24 . . . . 2.16 112.609 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.438 ' HD3' ' HA3' ' A' ' 1' ' ' GLY . 52.3 Cg_exo -56.68 137.7 82.1 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 123.511 2.807 . . . . 1.39 113.38 -175.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -100.96 122.1 42.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.296 -0.866 . . . . 1.13 110.04 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -118.3 143.44 46.6 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.249 -0.648 . . . . 0.64 109.249 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.68 ' HG2' ' HB3' ' A' ' 57' ' ' SER . 95.9 mtt180 -95.31 157.2 16.0 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.776 0.322 . . . . 2.93 110.714 177.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -159.71 152.63 21.71 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.842 -0.617 . . . . 1.12 110.89 176.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.445 HG11 ' HA ' ' A' ' 55' ' ' ALA . 27.6 m -121.97 146.02 27.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 116.036 -0.529 . . . . 1.05 109.962 173.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.478 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -177.39 -178.15 46.81 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.474 -0.869 . . . . 0.28 112.226 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.489 ' HA ' ' HA ' ' A' ' 53' ' ' ARG . 45.0 ttp180 -106.99 139.51 41.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.039 0.447 . . . . 3.71 110.211 -177.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.531 HD13 ' CG2' ' A' ' 54' ' ' VAL . 29.3 mm -71.87 133.32 32.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.559 -0.746 . . . . 1.06 110.867 -178.103 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.745 HE21 ' HB1' ' A' ' 21' ' ' ALA . 83.6 mm-40 -89.93 -42.68 11.05 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.798 -0.637 . . . . 1.15 109.859 176.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.0 t -173.07 160.06 4.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.689 -0.687 . . . . 1.05 109.786 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.629 HD13 ' HA ' ' A' ' 49' ' ' LYS . 87.8 mt -109.11 133.38 54.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.168 -0.469 . . . . 1.42 110.314 178.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.98 -142.2 12.8 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.624 -0.716 . . . . 1.06 111.872 176.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -113.87 -32.79 5.98 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.309 -0.626 . . . . 2.55 109.309 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -137.53 3.31 2.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.526 -0.761 . . . . 4.52 111.199 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.8 p -157.2 160.93 39.2 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.317 -0.623 . . . . 1.27 109.317 172.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.459 ' HB3' ' HA ' ' A' ' 13' ' ' ILE . 0.7 OUTLIER -149.84 151.37 33.41 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.019 0.437 . . . . 1.62 111.522 179.683 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.549 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 18.6 mt -92.8 129.83 42.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.54 -0.755 . . . . 1.26 110.802 -172.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.9 mt -130.19 129.78 65.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.085 0.469 . . . . 1.07 111.346 -178.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.745 ' HB1' HE21 ' A' ' 11' ' ' GLN . . . -86.27 93.74 9.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.901 -0.59 . . . . 1.1 109.884 173.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.478 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 24.3 p80 -91.81 155.38 18.27 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.79 -0.641 . . . . 0.38 110.692 -175.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -69.74 -168.95 0.21 Allowed 'General case' 0 C--O 1.241 0.641 0 CA-C-N 116.022 -0.536 . . . . 3.05 111.356 177.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.414 ' O ' ' HD3' ' A' ' 26' ' ' PRO . . . -76.05 73.0 2.92 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.968 -0.56 . . . . 1.5 111.58 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.609 HG21 ' H ' ' A' ' 28' ' ' ALA . 42.5 mt -47.95 102.87 0.33 Allowed Pre-proline 0 C--N 1.32 -0.712 0 O-C-N 124.234 0.959 . . . . 1.26 112.287 176.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 24' ' ' ALA . 12.6 Cg_exo -73.22 -18.2 23.74 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.816 2.344 . . . . 1.29 111.374 176.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.3 m -69.91 -41.47 74.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.296 -0.866 . . . . 1.43 111.364 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.609 ' H ' HG21 ' A' ' 25' ' ' ILE . . . -110.95 2.31 18.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.492 -0.322 . . . . 1.34 111.265 -177.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 66.31 30.03 9.2 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.809 -0.632 . . . . 2.21 110.657 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.455 ' HB2' ' HB ' ' A' ' 25' ' ' ILE . 44.6 m0 -93.08 110.06 21.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.342 -0.39 . . . . 1.12 110.258 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.66 65.67 4.03 Favored Glycine 0 C--N 1.32 -0.316 0 CA-C-N 115.937 -0.574 . . . . 1.67 113.221 -172.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.406 ' H ' ' HA ' ' A' ' 24' ' ' ALA . . . 55.98 93.2 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.316 0.646 . . . . 1.16 112.502 175.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 22.6 ptt? -153.0 149.61 28.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.061 0.458 . . . . 1.47 111.059 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.437 HG23 ' HG3' ' A' ' 11' ' ' GLN . 23.4 m -74.66 110.33 8.86 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.019 -0.991 . . . . 1.15 110.032 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 44.0 tpp -128.6 148.2 50.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.08 -0.509 . . . . 2.01 110.706 -178.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.549 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 35.0 tt0 -94.85 133.37 38.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.799 0.333 . . . . 1.0 110.16 178.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -112.5 142.32 45.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.236 -0.438 . . . . 0.43 110.56 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.444 ' HB3' HG22 ' A' ' 67' ' ' THR . . . -80.85 141.96 34.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.427 -0.351 . . . . 1.12 110.761 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.83 141.14 67.91 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.276 -0.42 . . . . 1.22 111.503 -178.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.31 158.88 52.79 Favored 'Trans proline' 0 C--O 1.236 0.4 0 C-N-CA 122.707 2.271 . . . . 1.49 111.533 175.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -63.14 -13.83 37.93 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.778 2.319 . . . . 2.4 112.984 -177.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.58 -14.13 52.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.356 -0.383 . . . . 1.64 111.584 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.44 174.52 35.61 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.913 -0.66 . . . . 1.0 112.186 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -93.9 139.33 22.63 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.905 0.383 . . . . 1.53 111.268 -178.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.642 ' HD2' HD22 ' A' ' 48' ' ' LEU . 57.0 Cg_endo -81.94 -167.18 0.46 Allowed 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 123.106 2.537 . . . . 0.92 111.878 171.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.636 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 0.9 OUTLIER -110.31 158.88 17.94 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.692 -0.686 . . . . 2.23 110.156 176.827 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.83 11.72 45.83 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.264 -0.493 . . . . 0.67 112.557 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.642 HD22 ' HD2' ' A' ' 45' ' ' PRO . 0.4 OUTLIER -129.3 46.66 2.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.84 0.352 . . . . 1.65 111.542 -177.879 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.629 ' HA ' HD13 ' A' ' 13' ' ' ILE . 88.0 mttt -95.19 171.24 8.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.104 0.478 . . . . 3.53 111.984 -174.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.02 107.66 0.15 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.994 -1.003 . . . . 1.1 111.177 177.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.68 -17.06 18.52 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.76 -0.733 . . . . 0.38 112.537 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.477 ' O ' HG12 ' A' ' 10' ' ' ILE . 11.6 m-20 -85.65 145.36 27.35 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.058 -0.349 . . . . 0.53 110.058 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.625 ' HD3' ' HA ' ' A' ' 76' ' ' GLN . 13.8 ttt180 -108.67 117.69 34.84 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 109.532 -0.544 . . . . 3.72 109.532 175.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.8 HG12 ' HA ' ' A' ' 73' ' ' PRO . 3.6 m -116.25 160.68 15.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.839 -0.618 . . . . 1.11 111.327 -174.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.445 ' HA ' HG11 ' A' ' 7' ' ' VAL . . . -110.24 118.36 36.14 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.853 -0.795 . . . . 1.03 108.853 175.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.761 ' HB3' HG23 ' A' ' 71' ' ' VAL . 38.2 p90 -136.52 167.23 21.75 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.731 0.641 . . . . 0.43 112.731 -169.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.68 ' HB3' ' HG2' ' A' ' 5' ' ' ARG . 28.0 p -130.11 139.25 50.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.197 -0.91 . . . . 1.47 109.635 173.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -138.49 151.74 47.65 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.262 -0.426 . . . . 0.5 110.624 -176.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.605 ' HG3' HG22 ' A' ' 69' ' ' VAL . 56.1 mtt180 -109.32 137.8 46.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.996 0.427 . . . . 3.57 110.895 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.54 HD21 ' HA ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -102.53 145.26 29.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.446 -0.797 . . . . 1.59 110.327 -179.71 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -97.99 169.13 8.88 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 108.806 -0.812 . . . . 1.87 108.806 173.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.7 -12.94 33.87 Favored 'Trans proline' 0 C--N 1.334 -0.208 0 C-N-CA 123.069 2.513 . . . . 1.81 112.993 -178.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -85.55 -26.82 25.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.82 0.343 . . . . 2.88 110.362 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.34 26.48 5.94 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 1.2 112.106 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.8 mmt -95.89 153.18 17.89 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.702 -0.481 . . . . 3.17 109.702 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.54 ' HA ' HD21 ' A' ' 60' ' ' LEU . . . -120.77 119.73 33.58 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.943 0.401 . . . . 1.18 110.738 -171.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.444 HG22 ' HB3' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -121.01 125.37 47.17 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.997 -0.547 . . . . 1.4 110.903 -178.454 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.9 tp -75.47 134.39 40.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.221 -0.445 . . . . 1.82 110.648 -176.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.605 HG22 ' HG3' ' A' ' 59' ' ' ARG . 25.0 t -105.01 -54.78 6.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.992 -0.549 . . . . 1.61 110.478 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -147.12 142.17 27.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.703 -0.68 . . . . 1.12 110.844 -177.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.761 HG23 ' HB3' ' A' ' 56' ' ' PHE . 14.8 p -138.32 136.86 44.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.126 0.489 . . . . 1.09 110.201 178.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -120.01 124.77 27.67 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 116.123 -0.49 . . . . 1.07 110.342 177.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.8 ' HA ' HG12 ' A' ' 54' ' ' VAL . 33.5 Cg_exo -59.37 103.2 0.17 Allowed 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.779 2.319 . . . . 1.22 111.781 176.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -103.91 178.75 4.47 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.353 -0.84 . . . . 1.45 109.742 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.6 m -124.1 85.97 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-O 121.482 0.658 . . . . 2.35 110.519 -171.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.625 ' HA ' ' HD3' ' A' ' 53' ' ' ARG . 21.8 mt-30 50.0 -108.89 0.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.462 -1.244 . . . . 2.92 111.967 -178.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.524 HG21 ' O ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -66.7 -46.61 74.99 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.764 -0.653 . . . . 4.2 110.964 -179.61 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 62.4 6.68 2.02 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.973 -1.012 . . . . 3.65 112.802 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -76.73 -69.31 1.41 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.648 -0.786 . . . . 5.36 111.5 177.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -114.72 -47.18 2.9 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.315 0.578 . . . . 7.0 109.625 174.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.524 ' O ' HG21 ' A' ' 77' ' ' THR . 37.1 tttm -95.05 146.38 31.22 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.263 -0.88 . . . . 11.04 110.331 178.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo . . . . . 0 C--O 1.247 0.947 0 C-N-CA 122.515 2.143 . . . . 11.77 109.944 164.722 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.552 0 N-CA-C 111.954 -0.458 . . . . 2.16 111.954 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.439 ' O ' ' HA ' ' A' ' 59' ' ' ARG . 28.1 Cg_exo -64.9 143.12 78.43 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.901 2.401 . . . . 1.39 112.463 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.463 ' HA ' ' O ' ' A' ' 58' ' ' PHE . 22.9 tt0 -90.13 130.42 36.29 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.671 -0.695 . . . . 1.13 110.417 179.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.46 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 79.9 m-70 -119.72 142.62 48.35 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.471 -0.566 . . . . 0.64 109.471 177.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.506 ' HD3' ' HB3' ' A' ' 57' ' ' SER . 13.8 mmt180 -78.68 138.89 38.5 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.292 -0.262 . . . . 2.93 110.292 176.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.65 133.9 17.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.203 0.525 . . . . 1.12 111.408 -178.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.435 ' HB ' HE22 ' A' ' 74' ' ' GLN . 31.2 m -122.41 152.46 26.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 109.599 -0.519 . . . . 1.05 109.599 175.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.607 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -178.29 -166.25 34.31 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 119.821 -1.18 . . . . 0.28 113.498 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -118.26 128.89 55.11 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.173 -0.677 . . . . 3.71 109.173 -176.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.588 HD11 HG21 ' A' ' 54' ' ' VAL . 41.7 mm -66.09 130.63 31.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.813 0.34 . . . . 1.06 110.53 -176.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.503 ' HG2' HG23 ' A' ' 34' ' ' THR . 3.5 tp-100 -92.34 -52.14 4.81 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.771 -0.65 . . . . 1.15 109.527 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.4 m -160.77 150.19 17.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.858 -0.61 . . . . 1.05 109.828 176.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.613 HD11 ' HA ' ' A' ' 49' ' ' LYS . 72.4 mt -98.51 142.39 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 1.42 110.879 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.435 ' HA3' ' O ' ' A' ' 17' ' ' SER . . . -105.82 -139.07 9.49 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.844 -0.616 . . . . 1.06 112.365 178.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -104.08 -44.43 5.0 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.888 0.851 . . . . 2.55 108.956 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.42 12.68 1.19 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.293 -1.322 . . . . 4.52 109.527 -178.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.435 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 35.8 p -154.85 154.23 32.4 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.075 -1.084 . . . . 1.27 108.075 173.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.802 HD22 ' HG ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -151.86 152.86 33.15 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 120.98 0.419 . . . . 1.62 111.327 -177.59 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.638 HG21 HG22 ' A' ' 34' ' ' THR . 14.0 mt -93.59 131.27 41.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.356 -0.838 . . . . 1.26 110.077 -174.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 68.3 mt -131.42 128.97 61.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.011 0.434 . . . . 1.07 111.29 -177.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.618 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -77.69 90.67 4.0 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.969 -0.752 . . . . 1.1 108.969 169.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.607 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 24.4 p80 -87.67 157.59 19.05 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.02 -0.536 . . . . 0.38 110.863 -178.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -63.71 -169.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.473 -0.785 . . . . 3.05 111.433 175.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.582 ' HA ' ' H ' ' A' ' 32' ' ' ALA . . . -58.24 -49.74 76.04 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.882 -0.599 . . . . 1.5 111.815 -176.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.415 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 31.0 mt 73.67 87.27 0.09 OUTLIER Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.858 -0.61 . . . . 1.26 110.581 -177.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.7 -23.06 63.63 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.929 2.419 . . . . 1.29 112.502 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.46 ' HB3' ' HB3' ' A' ' 4' ' ' HIS . 8.0 t -76.85 -12.73 60.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.831 0.348 . . . . 1.43 110.885 -178.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.54 -9.2 8.49 Favored 'General case' 0 C--N 1.33 -0.283 0 C-N-CA 121.103 -0.239 . . . . 1.34 111.236 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 66.72 30.96 7.85 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.941 -0.572 . . . . 2.21 111.176 178.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 46.4 m0 -88.6 174.07 8.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.979 -0.555 . . . . 1.12 110.094 178.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.64 48.5 0.97 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.549 -0.834 . . . . 1.67 113.199 -174.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.582 ' H ' ' HA ' ' A' ' 24' ' ' ALA . . . 59.39 92.43 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.458 0.54 . . . . 1.16 112.458 174.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 20.9 ptt? -146.79 152.94 39.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.278 -0.419 . . . . 1.47 110.908 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.638 HG22 HG21 ' A' ' 19' ' ' ILE . 13.9 m -75.17 108.78 8.15 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.615 -0.72 . . . . 1.15 110.823 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.7 mmm -126.48 156.31 40.9 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.095 -0.502 . . . . 2.01 111.155 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.56 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 72.4 tt0 -97.41 141.54 30.36 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.41 -178.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -120.63 131.87 54.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.306 -0.406 . . . . 0.43 109.991 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.54 128.72 37.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.317 -0.401 . . . . 1.12 110.768 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.67 165.81 13.99 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.346 -0.388 . . . . 1.22 110.537 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.17 152.46 65.8 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.195 1.93 . . . . 1.49 111.178 171.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.42 -15.57 11.94 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 123.131 2.554 . . . . 2.4 113.299 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.93 -39.15 73.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 1.64 111.262 174.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.31 174.23 20.49 Favored Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.785 -0.722 . . . . 1.0 112.059 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.802 ' HG ' HD22 ' A' ' 18' ' ' LEU . 3.7 mm? -92.0 156.38 42.35 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-O 120.765 0.317 . . . . 1.53 111.047 -178.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -74.69 -163.57 0.19 Allowed 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.794 2.329 . . . . 0.92 112.033 172.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.6 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -117.88 148.3 42.27 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.257 -0.883 . . . . 2.23 110.494 -178.487 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.76 18.04 12.28 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 111.579 -0.608 . . . . 0.67 111.579 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.654 ' HB3' HG13 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -134.31 55.52 1.89 Allowed 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.053 0.454 . . . . 1.65 111.208 -177.156 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.613 ' HA ' HD11 ' A' ' 13' ' ' ILE . 7.1 ptpp? -94.27 168.7 10.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.302 -0.408 . . . . 3.53 110.099 -174.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.4 106.8 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.414 0.446 . . . . 1.1 110.69 176.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.61 -16.0 12.63 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.928 -0.654 . . . . 0.38 112.877 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.581 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 17.4 m-20 -80.34 156.2 26.85 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 117.313 0.556 . . . . 0.53 111.026 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.907 ' HD3' ' HA ' ' A' ' 76' ' ' GLN . 31.3 ttt85 -110.17 120.43 42.43 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.75 -0.659 . . . . 3.72 109.414 174.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.654 HG13 ' HB3' ' A' ' 48' ' ' LEU . 13.2 m -125.63 156.82 35.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.823 -0.626 . . . . 1.11 111.073 -176.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -114.46 124.8 52.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.671 -0.695 . . . . 1.03 109.189 175.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.449 ' HA ' ' O ' ' A' ' 70' ' ' THR . 11.0 p90 -140.66 178.44 7.33 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.217 0.532 . . . . 0.43 111.759 -174.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.594 ' C ' HG22 ' A' ' 69' ' ' VAL . 1.3 p -134.67 -178.78 5.23 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 108.621 -0.881 . . . . 1.47 108.621 166.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.463 ' O ' ' HA ' ' A' ' 3' ' ' GLU . 33.4 p90 -170.46 158.56 6.51 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.957 -0.386 . . . . 0.5 109.957 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.439 ' HA ' ' O ' ' A' ' 2' ' ' PRO . 28.6 mtm-85 -110.87 134.15 52.78 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.889 -0.411 . . . . 3.57 109.889 178.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 60' ' ' LEU . 10.1 mt -93.03 113.07 25.23 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.959 -0.386 . . . . 1.59 109.959 174.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -83.01 164.24 47.26 Favored Pre-proline 0 C--N 1.315 -0.907 0 CA-C-N 115.919 -0.582 . . . . 1.87 109.496 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -71.07 0.93 5.86 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.899 2.399 . . . . 1.81 112.527 -172.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -101.12 -4.55 27.1 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.049 -0.523 . . . . 2.88 110.499 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.29 32.81 15.69 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 110.922 -0.871 . . . . 1.2 110.922 -177.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 24.6 mmt -95.6 141.89 28.56 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.788 -0.449 . . . . 3.17 109.788 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -110.94 97.01 6.5 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.49 -0.929 . . . . 1.18 108.49 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.8 m -105.86 112.53 25.63 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.514 -0.766 . . . . 1.4 110.806 -171.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 25.7 tp -65.71 139.94 58.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.391 -0.822 . . . . 1.82 110.109 -176.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.609 HG21 ' H ' ' A' ' 70' ' ' THR . 13.6 m -109.43 -59.07 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 CA-C-N 116.473 -0.331 . . . . 1.61 111.217 -178.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.609 ' H ' HG21 ' A' ' 69' ' ' VAL . 1.7 p -146.63 131.55 18.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.668 -0.242 . . . . 1.12 110.471 177.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.3 p -128.27 133.22 67.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 O-C-N 123.522 0.513 . . . . 1.09 109.748 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -131.48 134.21 25.32 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 116.405 -0.362 . . . . 1.07 110.598 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.6 ' HA ' HG12 ' A' ' 54' ' ' VAL . 54.1 Cg_exo -53.73 123.43 13.38 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.928 2.418 . . . . 1.22 111.816 176.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.609 ' HB2' ' HB1' ' A' ' 78' ' ' ALA . 10.7 pt20 -123.24 177.56 5.52 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.232 -0.44 . . . . 1.45 110.244 -177.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.0 t -127.24 87.24 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 108.851 -0.796 . . . . 2.35 108.851 -174.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.907 ' HA ' ' HD3' ' A' ' 53' ' ' ARG . 15.8 mm100 60.7 -98.93 0.09 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.223 -0.898 . . . . 2.92 111.582 -176.018 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 10.9 m -104.28 87.31 2.71 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-O 121.466 0.65 . . . . 4.2 110.198 177.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.609 ' HB1' ' HB2' ' A' ' 74' ' ' GLN . . . -105.95 1.85 26.97 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.579 -0.737 . . . . 3.65 110.915 177.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.07 138.34 34.62 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.851 -0.69 . . . . 5.36 112.054 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -108.99 134.94 50.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.028 0.442 . . . . 7.0 111.249 -178.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -88.9 157.23 49.0 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.754 -0.657 . . . . 11.04 109.747 177.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo . . . . . 0 C--O 1.25 1.111 0 C-N-CA 122.63 2.22 . . . . 11.77 111.829 176.434 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 N-CA-C 112.095 -0.402 . . . . 2.16 112.095 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.65 145.96 71.63 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.727 2.285 . . . . 1.39 112.583 -177.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -90.89 131.75 36.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.678 -0.692 . . . . 1.13 109.969 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -127.91 150.73 49.75 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.326 -0.62 . . . . 0.64 109.326 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.535 ' HG2' ' HB3' ' A' ' 57' ' ' SER . 78.2 mtt180 -104.99 151.72 23.59 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.958 -0.297 . . . . 2.93 110.736 176.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.488 ' CB ' HG12 ' A' ' 25' ' ' ILE . . . -156.56 152.23 27.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.713 -0.676 . . . . 1.12 110.007 177.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.727 ' HB ' HE22 ' A' ' 74' ' ' GLN . 30.1 m -122.12 158.58 25.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 120.97 0.414 . . . . 1.05 110.355 174.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 172.78 -146.38 9.06 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.116 -1.04 . . . . 0.28 112.53 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.417 ' HA ' ' HA ' ' A' ' 53' ' ' ARG . 11.4 ttm180 -129.6 137.85 50.93 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.695 -0.483 . . . . 3.71 109.695 -175.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.634 HD11 HG23 ' A' ' 54' ' ' VAL . 50.7 mm -69.01 117.72 12.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 109.744 -0.465 . . . . 1.06 109.744 177.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.511 ' HG2' HG23 ' A' ' 34' ' ' THR . 8.3 tp-100 -83.75 -50.05 8.51 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.98 -0.554 . . . . 1.15 109.542 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.1 m -161.02 141.8 11.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.908 -0.587 . . . . 1.05 110.667 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.517 HG22 HD21 ' A' ' 18' ' ' LEU . 57.8 mt -90.77 131.39 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.334 -0.617 . . . . 1.42 109.334 171.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.91 -161.68 17.64 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.278 -0.487 . . . . 1.06 113.005 -176.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.807 ' HG3' ' HG3' ' A' ' 16' ' ' ARG . 9.3 pt-20 -69.09 -43.62 74.15 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 122.761 0.424 . . . . 2.55 112.05 -176.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.807 ' HG3' ' HG3' ' A' ' 15' ' ' GLU . 3.0 ppt_? -143.46 17.42 1.86 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.331 0.586 . . . . 4.52 110.269 -177.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.603 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 3.0 p -158.36 166.41 32.35 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 115.156 -0.929 . . . . 1.27 109.039 -175.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.558 HD22 ' HG ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -133.61 131.43 39.62 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 109.111 -0.7 . . . . 1.62 109.111 171.714 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.849 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 4.3 mp -78.27 124.56 36.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 108.526 -0.916 . . . . 1.26 108.526 177.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 69.2 mt -126.41 123.64 63.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.826 0.346 . . . . 1.07 111.276 -174.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.735 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -71.37 95.42 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.442 -0.577 . . . . 1.1 109.442 170.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.0 p80 -101.67 155.31 18.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.272 -0.422 . . . . 0.38 110.826 -176.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.598 ' HG3' ' O ' ' A' ' 7' ' ' VAL . 1.8 pp20? -70.08 -165.15 0.09 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.41 -0.814 . . . . 3.05 111.194 174.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.58 -15.58 62.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.915 0.709 . . . . 1.5 112.915 -171.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.488 HG12 ' CB ' ' A' ' 6' ' ' ALA . 42.5 mt 63.26 85.61 0.16 Allowed Pre-proline 0 C--N 1.322 -0.598 0 CA-C-O 121.074 0.464 . . . . 1.26 110.668 178.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -68.19 -9.07 24.67 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.433 2.089 . . . . 1.29 112.247 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.0 m -87.79 -20.21 26.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.132 -0.486 . . . . 1.43 111.331 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.92 -4.81 8.02 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.234 0.457 . . . . 1.34 112.234 -176.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 58.02 63.57 1.74 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.483 0.658 . . . . 2.21 110.475 -178.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.451 ' CZ2' HD12 ' A' ' 60' ' ' LEU . 18.7 m0 -116.08 176.41 5.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.094 -0.957 . . . . 1.12 110.416 -177.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.422 ' O ' ' HG2' ' A' ' 33' ' ' MET . . . -101.25 159.16 18.77 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.345 -0.931 . . . . 1.67 111.336 170.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.66 126.62 30.16 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.985 -0.376 . . . . 1.16 109.985 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.422 ' HG2' ' O ' ' A' ' 31' ' ' GLY . 4.5 ptt? -171.64 152.3 3.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.081 -0.509 . . . . 1.47 111.256 -174.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.735 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 22.6 m -82.02 107.79 15.0 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.307 -0.86 . . . . 1.15 109.915 177.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 41.6 ttm -131.54 147.5 52.54 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.211 -0.449 . . . . 2.01 111.126 -178.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.849 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 40.5 tt0 -76.75 138.73 40.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.33 -0.85 . . . . 1.0 111.564 -179.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -119.57 128.23 53.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.881 -0.6 . . . . 0.43 109.695 173.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.603 ' HA ' ' HB3' ' A' ' 17' ' ' SER . . . -76.75 144.96 38.9 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.904 -0.589 . . . . 1.12 110.596 -175.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.63 147.17 34.61 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-O 120.525 0.202 . . . . 1.22 110.956 -177.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 68' ' ' LEU . 50.0 Cg_endo -69.81 159.09 54.66 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.456 2.104 . . . . 1.49 111.006 173.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -57.19 -21.83 45.21 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.801 2.334 . . . . 2.4 112.502 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.91 -41.08 91.88 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.98 -0.554 . . . . 1.64 111.531 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.95 178.93 17.82 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.978 -0.63 . . . . 1.0 112.075 -178.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.558 ' HG ' HD22 ' A' ' 18' ' ' LEU . 2.4 mm? -103.07 148.55 35.79 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 120.502 0.192 . . . . 1.53 110.555 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.628 ' HD2' HD21 ' A' ' 48' ' ' LEU . 13.0 Cg_exo -70.63 -163.19 0.11 Allowed 'Trans proline' 0 CA--C 1.528 0.182 0 C-N-CA 123.242 2.628 . . . . 0.92 112.006 172.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -113.44 154.86 26.3 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.967 -0.56 . . . . 2.23 110.114 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.13 27.45 20.91 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.656 -0.783 . . . . 0.67 112.348 175.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.628 HD21 ' HD2' ' A' ' 45' ' ' PRO . 1.2 pp -139.32 45.68 1.95 Allowed 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 120.945 0.403 . . . . 1.65 111.527 -177.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -97.08 173.41 7.27 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.899 -0.32 . . . . 3.53 110.326 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.07 115.07 0.9 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.207 0.527 . . . . 1.1 111.767 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.81 -21.63 12.31 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 115.69 -0.686 . . . . 0.38 112.606 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -79.34 138.34 37.66 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 121.012 0.434 . . . . 0.53 110.53 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.417 ' HA ' ' HA ' ' A' ' 9' ' ' ARG . 34.6 mtt180 -92.46 124.24 36.36 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 108.569 -0.9 . . . . 3.72 108.569 171.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.634 HG23 HD11 ' A' ' 10' ' ' ILE . 15.6 m -126.36 151.22 32.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-O 121.132 0.491 . . . . 1.11 111.758 -176.069 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.425 ' HA ' HG13 ' A' ' 7' ' ' VAL . . . -109.45 122.53 47.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.169 -0.923 . . . . 1.03 108.684 173.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.697 ' HB3' HG21 ' A' ' 71' ' ' VAL . 51.2 p90 -140.67 170.24 16.13 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.061 0.763 . . . . 0.43 113.061 -168.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.535 ' HB3' ' HG2' ' A' ' 5' ' ' ARG . 36.6 p -132.81 144.76 50.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.863 -1.062 . . . . 1.47 109.498 173.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.492 ' HA ' HG21 ' A' ' 69' ' ' VAL . 42.7 p90 -142.85 157.15 44.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.674 0.273 . . . . 0.5 110.793 -176.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.403 ' HG3' ' CG2' ' A' ' 69' ' ' VAL . 57.8 mtm-85 -107.97 139.63 42.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.311 -0.404 . . . . 3.57 110.166 177.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.451 HD12 ' CZ2' ' A' ' 30' ' ' TRP . 13.3 mt -103.79 121.83 43.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.592 -0.277 . . . . 1.59 111.532 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.411 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 21.8 m-20 -82.76 164.24 47.8 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.14 -0.689 . . . . 1.87 109.14 174.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.411 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 6.7 Cg_exo -73.44 1.79 6.42 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 123.093 2.529 . . . . 1.81 111.956 -176.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -94.6 -14.83 24.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.682 -0.69 . . . . 2.88 109.685 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.95 26.38 10.45 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 110.893 -0.883 . . . . 1.2 110.893 -173.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 87.0 mmm -98.8 137.87 36.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.526 -0.337 . . . . 3.17 110.111 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -117.7 104.47 11.02 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.897 -0.592 . . . . 1.18 109.469 -176.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.89 122.35 45.6 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.021 -0.536 . . . . 1.4 110.587 -176.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.407 HD13 ' HB2' ' A' ' 56' ' ' PHE . 60.5 tp -68.98 126.45 29.83 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.002 -0.999 . . . . 1.82 110.725 -177.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.492 HG21 ' HA ' ' A' ' 58' ' ' PHE . 39.0 t -91.47 -58.36 3.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.114 -0.494 . . . . 1.61 110.116 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.0 p -146.67 147.22 30.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.398 -0.819 . . . . 1.12 109.935 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.697 HG21 ' HB3' ' A' ' 56' ' ' PHE . 7.9 p -144.96 134.45 18.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.889 0.376 . . . . 1.09 110.357 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -128.64 137.39 30.84 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.076 -0.511 . . . . 1.07 110.298 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.424 ' HA ' HG11 ' A' ' 54' ' ' VAL . 20.1 Cg_endo -60.52 132.18 41.98 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.698 2.266 . . . . 1.22 112.191 179.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.727 HE22 ' HB ' ' A' ' 7' ' ' VAL . 10.4 pt20 -127.22 178.49 6.0 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.584 -0.734 . . . . 1.45 110.121 -177.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.411 ' O ' ' HB2' ' A' ' 76' ' ' GLN . 46.2 t -130.31 96.39 2.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 108.037 -1.097 . . . . 2.35 108.037 -174.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.411 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 25.0 mt-30 66.58 -93.34 0.03 OUTLIER 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 115.47 -0.786 . . . . 2.92 111.051 -173.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.5 p -115.82 1.32 13.39 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 114.599 -1.182 . . . . 4.2 110.619 176.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.663 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . . . 64.63 13.32 8.22 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.235 -0.893 . . . . 3.65 111.695 178.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.16 4.99 66.15 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.826 -0.702 . . . . 5.36 112.248 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -125.44 122.44 36.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.957 0.408 . . . . 7.0 110.408 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.445 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 55.4 tttp -75.06 128.06 85.6 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 115.931 -0.577 . . . . 11.04 110.7 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 81' ' ' LYS . 2.2 Cg_endo . . . . . 0 C--O 1.247 0.939 0 C-N-CA 123.163 2.575 . . . . 11.77 111.377 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.62 ' HA3' ' O ' ' A' ' 60' ' ' LEU . . . . . . . . 0 N--CA 1.481 1.648 0 N-CA-C 112.226 -0.349 . . . . 2.16 112.226 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -68.67 160.35 49.86 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 123.096 2.53 . . . . 1.39 112.719 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -105.47 116.49 32.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.512 -0.767 . . . . 1.13 109.96 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.411 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 64.7 m-70 -113.29 165.3 12.56 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.431 -0.581 . . . . 0.64 109.431 -179.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.485 ' HA ' ' HA ' ' A' ' 57' ' ' SER . 96.9 mtt180 -108.27 155.96 19.9 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.818 0.342 . . . . 2.93 110.724 177.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.406 ' HB1' ' CE2' ' A' ' 56' ' ' PHE . . . -155.25 148.55 24.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.018 -0.537 . . . . 1.12 110.826 177.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 26.9 m -118.84 152.46 21.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.036 -0.529 . . . . 1.05 109.719 173.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.429 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 178.4 -157.99 22.28 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 119.846 -1.168 . . . . 0.28 113.255 178.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.408 ' HA ' ' HD3' ' A' ' 53' ' ' ARG . 14.8 ttm-85 -118.25 132.91 56.28 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.787 -0.449 . . . . 3.71 109.787 -176.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.572 HD13 HG22 ' A' ' 54' ' ' VAL . 52.0 mm -68.44 121.35 17.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 C-N-CA 120.506 -0.478 . . . . 1.06 109.723 176.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -87.67 -50.54 6.43 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.978 -0.555 . . . . 1.15 109.684 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.9 m -161.35 149.67 15.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.169 -0.469 . . . . 1.05 109.909 175.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.721 HG23 HD21 ' A' ' 18' ' ' LEU . 65.6 mt -95.46 127.82 47.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.877 0.37 . . . . 1.42 110.152 175.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -99.8 -155.07 28.14 Favored Glycine 0 CA--C 1.511 -0.161 0 CA-C-N 116.055 -0.521 . . . . 1.06 113.177 -176.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -76.52 -46.34 26.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.385 0.612 . . . . 2.55 110.187 -178.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.16 14.28 1.85 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.208 -0.906 . . . . 4.52 110.307 178.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.855 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 5.5 p -154.85 146.75 23.49 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.872 -0.603 . . . . 1.27 109.663 -179.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.721 HD21 HG23 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -121.71 136.41 54.94 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 109.368 -0.604 . . . . 1.62 109.368 -178.596 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.73 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 17.5 mt -82.0 129.98 36.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 108.683 -0.858 . . . . 1.26 108.683 177.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.1 mt -129.64 127.18 64.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.222 -0.445 . . . . 1.07 110.832 -175.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.469 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -77.46 91.13 3.88 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.159 -0.682 . . . . 1.1 109.159 171.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.429 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 26.4 p80 -89.48 155.08 19.53 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.961 -0.563 . . . . 0.38 110.242 -178.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.39 -165.16 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.973 -0.558 . . . . 3.05 111.505 178.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.593 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -58.62 -47.82 83.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.795 -0.639 . . . . 1.5 111.666 -176.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.469 HG22 ' H ' ' A' ' 28' ' ' ALA . 20.0 mt 74.41 91.41 0.06 OUTLIER Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.83 -0.623 . . . . 1.26 110.855 -177.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.65 -2.42 12.64 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.647 2.231 . . . . 1.29 111.137 175.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' A' ' 4' ' ' HIS . 4.7 m -78.56 -29.15 46.16 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.087 -0.961 . . . . 1.43 110.613 178.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.469 ' H ' HG22 ' A' ' 25' ' ' ILE . . . -123.17 -4.12 8.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 1.34 111.226 -178.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 65.16 51.3 1.67 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.383 0.611 . . . . 2.21 111.353 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 49.3 m0 -104.79 174.47 5.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.519 -0.764 . . . . 1.12 110.053 175.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -122.2 41.58 1.81 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.7 -0.762 . . . . 1.67 113.188 -176.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.593 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 69.52 112.38 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.527 0.68 . . . . 1.16 111.853 175.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 24.5 ptp -157.03 151.66 25.56 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.902 -0.59 . . . . 1.47 110.47 -176.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 32.7 m -88.62 106.52 18.37 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.911 -0.586 . . . . 1.15 110.259 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 77.7 mtp -120.15 163.12 18.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.528 -0.76 . . . . 2.01 111.335 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.73 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 35.3 tt0 -99.54 133.3 44.06 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.25 178.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -112.62 120.74 42.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.727 0.298 . . . . 0.43 110.414 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.855 ' HA ' ' HB3' ' A' ' 17' ' ' SER . . . -76.28 136.6 39.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.924 -0.58 . . . . 1.12 110.646 -178.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.84 153.53 37.68 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.553 -0.294 . . . . 1.22 110.394 -177.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -62.96 151.09 86.39 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.159 1.906 . . . . 1.49 110.675 171.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -57.87 -11.95 10.89 Favored 'Trans proline' 0 N--CA 1.474 0.341 0 C-N-CA 123.086 2.524 . . . . 2.4 112.515 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.81 -26.87 67.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.768 -0.651 . . . . 1.64 111.03 176.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 99.85 171.53 30.16 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.994 -0.622 . . . . 1.0 113.355 174.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.502 ' HG ' HD11 ' A' ' 18' ' ' LEU . 2.9 mm? -96.92 150.26 36.66 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 120.904 0.383 . . . . 1.53 111.062 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.712 ' HD2' HD22 ' A' ' 48' ' ' LEU . 6.0 Cg_exo -73.79 -165.41 0.25 Allowed 'Trans proline' 0 CA--C 1.52 -0.221 0 C-N-CA 123.627 2.884 . . . . 0.92 111.801 170.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.567 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 0.6 OUTLIER -110.21 154.06 23.9 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.397 -0.82 . . . . 2.23 110.11 179.21 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.16 20.49 20.52 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.765 -0.731 . . . . 0.67 111.961 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.712 HD22 ' HD2' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -136.87 47.47 2.14 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.876 0.37 . . . . 1.65 111.699 -177.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.556 ' HG2' ' OD2' ' A' ' 52' ' ' ASP . 9.8 ptpp? -95.61 169.21 10.19 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.608 -0.516 . . . . 3.53 109.608 -177.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.24 113.93 1.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.83 0.347 . . . . 1.1 110.727 178.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.56 -23.22 10.44 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.918 -0.658 . . . . 0.38 112.497 -177.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.556 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 8.7 m-20 -74.14 155.09 38.79 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 121.645 0.735 . . . . 0.53 110.902 -177.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HD3' ' HA ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -110.69 116.61 31.61 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.109 -0.95 . . . . 3.72 108.474 174.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.572 HG22 HD13 ' A' ' 10' ' ' ILE . 15.6 m -124.19 150.42 28.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-O 121.046 0.451 . . . . 1.11 111.442 -174.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.31 120.23 41.9 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.588 -0.893 . . . . 1.03 108.588 174.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.539 ' HB3' HG21 ' A' ' 71' ' ' VAL . 47.7 p90 -139.19 171.71 13.89 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.799 0.666 . . . . 0.43 112.799 -169.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.485 ' HA ' ' HA ' ' A' ' 5' ' ' ARG . 44.5 p -126.01 147.67 49.48 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.842 -1.072 . . . . 1.47 109.318 175.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.445 ' HA ' HG23 ' A' ' 69' ' ' VAL . 30.3 p90 -147.56 155.39 41.79 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.66 0.266 . . . . 0.5 110.827 -177.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -104.38 160.64 14.74 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.944 -0.391 . . . . 3.57 109.944 175.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.62 ' O ' ' HA3' ' A' ' 1' ' ' GLY . 18.2 mt -125.53 114.41 18.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.942 -0.572 . . . . 1.59 110.656 173.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.701 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 59.9 m-20 -79.97 164.66 51.74 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 108.607 -0.886 . . . . 1.87 108.607 176.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.416 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 16.9 Cg_exo -67.85 0.97 3.67 Favored 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 122.898 2.399 . . . . 1.81 113.524 -170.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -105.25 -8.25 18.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.215 0.531 . . . . 2.88 110.562 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.09 31.45 7.27 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.498 -0.774 . . . . 1.2 111.281 -175.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.701 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 82.7 mmm -87.81 124.12 33.3 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.92 -0.4 . . . . 3.17 109.92 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -106.61 107.2 18.1 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.947 -0.569 . . . . 1.18 109.628 -175.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.1 120.74 43.44 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.088 -0.505 . . . . 1.4 110.873 -175.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.33 116.67 14.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.773 -0.649 . . . . 1.82 109.367 -178.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.445 HG23 ' HA ' ' A' ' 58' ' ' PHE . 24.0 t -88.21 -66.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.03 0.443 . . . . 1.61 110.436 -177.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.4 p -138.0 143.54 40.67 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.029 -0.532 . . . . 1.12 109.94 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.539 HG21 ' HB3' ' A' ' 56' ' ' PHE . 7.3 p -135.81 129.97 48.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.057 0.456 . . . . 1.09 110.232 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -118.44 139.06 26.4 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 116.11 -0.495 . . . . 1.07 110.23 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -64.06 107.7 0.83 Allowed 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.539 2.16 . . . . 1.22 112.374 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -99.94 178.56 4.77 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.502 -0.925 . . . . 1.45 108.502 174.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.8 p -139.34 94.62 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.199 0 CA-C-O 121.735 0.778 . . . . 2.35 109.555 -176.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 60.82 -96.46 0.06 Allowed 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 114.234 -1.348 . . . . 2.92 111.341 -175.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.7 m -114.31 102.17 9.86 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 115.828 -0.623 . . . . 4.2 109.985 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.41 -33.07 70.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.295 -0.866 . . . . 3.65 111.862 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 163.92 -149.03 15.77 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.731 -0.747 . . . . 5.36 112.333 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.72 140.96 29.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.83 0.348 . . . . 7.0 110.727 -179.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 20.7 pttp -92.63 146.02 31.5 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.294 -0.412 . . . . 11.04 110.365 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 81' ' ' LYS . 7.9 Cg_exo . . . . . 0 C--O 1.246 0.908 0 C-N-CA 122.982 2.454 . . . . 11.77 111.197 172.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.742 0 N-CA-C 112.022 -0.431 . . . . 2.16 112.022 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -63.41 152.97 77.45 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.216 2.61 . . . . 1.39 112.892 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -90.86 129.73 36.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.462 -0.79 . . . . 1.13 110.289 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.444 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 89.1 m-70 -125.88 141.66 51.88 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.569 -0.287 . . . . 0.64 110.573 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.653 ' HD3' ' OG ' ' A' ' 57' ' ' SER . 46.5 mmt-85 -67.99 145.15 54.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.853 -0.612 . . . . 2.93 110.298 177.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.416 ' HB1' ' CE2' ' A' ' 56' ' ' PHE . . . -153.47 136.7 15.67 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 120.728 0.299 . . . . 1.12 110.685 175.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.582 ' HB ' HE22 ' A' ' 74' ' ' GLN . 35.0 m -120.11 152.26 22.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.703 -0.48 . . . . 1.05 109.703 175.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.621 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 178.77 -170.67 42.66 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.331 -0.938 . . . . 0.28 112.544 179.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.4 ttt-85 -116.07 130.52 56.85 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.64 -0.504 . . . . 3.71 109.64 -177.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.495 HD11 ' CG2' ' A' ' 54' ' ' VAL . 31.0 mm -62.86 134.12 28.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.173 -0.467 . . . . 1.06 110.652 -177.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -99.18 -47.1 5.32 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.0 -0.545 . . . . 1.15 109.831 -178.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.0 m -161.67 151.28 16.5 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.438 -0.578 . . . . 1.05 109.438 176.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.722 HD12 ' HA ' ' A' ' 49' ' ' LYS . 52.5 mt -101.27 137.1 30.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.21 0.528 . . . . 1.42 111.318 178.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.708 ' H ' ' HB3' ' A' ' 18' ' ' LEU . . . -126.64 160.98 21.01 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.999 -0.84 . . . . 1.06 110.999 173.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -62.73 -40.14 96.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.012 0.434 . . . . 2.55 111.944 -175.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.95 -12.64 8.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.275 -0.421 . . . . 4.52 111.706 -176.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.459 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 1.9 p -157.05 141.42 16.55 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.217 -0.447 . . . . 1.27 110.036 178.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.708 ' HB3' ' H ' ' A' ' 14' ' ' GLY . 0.5 OUTLIER -139.27 139.64 37.43 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.025 0.441 . . . . 1.62 110.833 -177.581 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.883 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 15.7 mt -85.05 130.59 35.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.949 -0.569 . . . . 1.26 110.236 -174.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.9 mt -130.04 122.51 54.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.107 -0.497 . . . . 1.07 110.536 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.596 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -74.33 90.9 2.16 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.35 -0.611 . . . . 1.1 109.35 173.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.621 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 26.6 p80 -87.02 155.66 20.07 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.853 -0.612 . . . . 0.38 110.326 -178.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -66.55 -166.35 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.892 -0.594 . . . . 3.05 110.953 177.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.574 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -60.01 -45.47 92.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.981 -0.554 . . . . 1.5 111.242 -179.634 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.502 HG22 ' H ' ' A' ' 28' ' ' ALA . 44.9 mt 74.09 94.21 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.015 -0.539 . . . . 1.26 111.091 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.78 -17.4 29.29 Favored 'Trans proline' 0 CA--C 1.527 0.17 0 C-N-CA 122.431 2.088 . . . . 1.29 111.797 178.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.444 ' CB ' ' HB3' ' A' ' 4' ' ' HIS . 14.6 m -72.29 -29.68 64.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.712 -0.676 . . . . 1.43 111.028 -179.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.502 ' H ' HG22 ' A' ' 25' ' ' ILE . . . -114.02 -1.37 13.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.33 -0.396 . . . . 1.34 110.627 -179.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 59.46 35.44 22.9 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.37 -0.832 . . . . 2.21 111.302 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 47.4 m0 -89.2 173.74 8.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.039 -0.528 . . . . 1.12 110.605 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.32 35.52 3.6 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.701 -0.762 . . . . 1.67 113.232 -176.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.574 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 69.43 127.3 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.281 0.632 . . . . 1.16 112.448 176.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 15.0 ptt? -171.82 147.96 2.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.658 -0.701 . . . . 1.47 110.346 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.596 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 6.7 m -78.51 102.23 7.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.03 -0.532 . . . . 1.15 109.893 179.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 37.9 ttm -123.72 143.9 50.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.364 -0.38 . . . . 2.01 111.352 -174.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.883 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 45.0 tt0 -83.94 133.32 34.71 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.552 -0.749 . . . . 1.0 110.745 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -110.7 145.35 38.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.237 -0.438 . . . . 0.43 110.118 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.617 ' HB1' HG23 ' A' ' 67' ' ' THR . . . -82.68 142.5 31.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.518 -0.31 . . . . 1.12 110.201 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.75 142.51 98.2 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.561 -0.29 . . . . 1.22 111.148 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.19 153.53 52.14 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.717 2.278 . . . . 1.49 111.529 176.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -61.87 -16.12 47.3 Favored 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 122.807 2.338 . . . . 2.4 112.785 -177.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.97 -15.89 31.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.239 -0.437 . . . . 1.64 111.021 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 112.91 -172.55 14.58 Favored Glycine 0 N--CA 1.44 -1.057 0 C-N-CA 120.9 -0.667 . . . . 1.0 111.629 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.1 mt -109.03 137.3 20.1 Favored Pre-proline 0 C--N 1.314 -0.937 0 CA-C-O 121.085 0.469 . . . . 1.53 111.335 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.64 ' HD2' HD23 ' A' ' 48' ' ' LEU . 71.7 Cg_endo -85.47 -166.61 0.35 Allowed 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 123.444 2.763 . . . . 0.92 111.787 173.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.575 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 0.6 OUTLIER -117.47 146.15 43.7 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.45 -0.796 . . . . 2.23 110.183 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.87 15.43 9.29 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.941 -0.647 . . . . 0.67 111.707 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.64 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.4 OUTLIER -134.05 45.65 2.6 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 111.693 0.256 . . . . 1.65 111.693 -175.794 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.722 ' HA ' HD12 ' A' ' 13' ' ' ILE . 18.6 ptpt -95.61 164.23 12.87 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.304 -0.559 . . . . 3.53 111.134 -175.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.87 110.08 0.32 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.582 -0.735 . . . . 1.1 111.848 -177.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.63 -9.69 12.81 Favored Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.572 -0.823 . . . . 0.38 112.736 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -93.65 157.94 15.93 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 121.09 0.472 . . . . 0.53 111.1 177.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.964 ' HD3' ' HA ' ' A' ' 76' ' ' GLN . 15.9 ttt180 -108.89 127.76 54.32 Favored 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 108.677 -0.861 . . . . 3.72 108.677 171.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.524 HG13 ' HA ' ' A' ' 73' ' ' PRO . 10.7 m -130.15 154.55 40.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.421 -0.354 . . . . 1.11 110.619 -177.099 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.512 ' HB2' ' HG3' ' A' ' 74' ' ' GLN . . . -108.32 122.36 46.81 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.922 -0.77 . . . . 1.03 108.922 175.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.689 ' HB3' HG21 ' A' ' 71' ' ' VAL . 47.0 p90 -142.1 -177.06 5.05 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.542 -0.299 . . . . 0.43 110.958 -172.093 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.653 ' OG ' ' HD3' ' A' ' 5' ' ' ARG . 28.8 m -139.36 -176.91 4.69 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 109.229 -0.656 . . . . 1.47 109.229 167.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -162.28 158.16 23.86 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 120.709 0.29 . . . . 0.5 110.237 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.4 mtm180 -105.73 139.49 40.23 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.67 -0.863 . . . . 3.57 108.67 172.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' A' ' 60' ' ' LEU . 11.4 mt -89.5 115.97 27.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.175 0.512 . . . . 1.59 110.648 178.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.97 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 1.4 m-20 -86.55 164.43 37.63 Favored Pre-proline 0 C--N 1.315 -0.916 0 CA-C-N 115.419 -0.81 . . . . 1.87 108.941 178.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.454 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 35.1 Cg_exo -59.99 -18.83 52.5 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 123.214 2.609 . . . . 1.81 114.589 -165.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.477 ' HB2' ' SD ' ' A' ' 65' ' ' MET . 12.3 m-70 -90.67 -1.6 57.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.928 0.394 . . . . 2.88 111.605 -178.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.51 28.62 21.52 Favored Glycine 0 C--N 1.314 -0.678 0 N-CA-C 109.524 -1.43 . . . . 1.2 109.524 -171.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.97 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 44.5 mtp -84.04 144.86 28.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.424 -0.888 . . . . 3.17 109.506 -177.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -119.37 97.99 5.93 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.265 -0.643 . . . . 1.18 109.265 -175.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.617 HG23 ' HB1' ' A' ' 38' ' ' ALA . 2.9 m -98.61 118.58 35.64 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 115.381 -0.827 . . . . 1.4 110.616 -175.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 44.5 tp -62.81 127.71 32.51 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.628 -0.715 . . . . 1.82 110.52 -176.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.637 HG21 ' C ' ' A' ' 57' ' ' SER . 15.2 m -97.68 -58.48 3.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.907 -0.588 . . . . 1.61 111.339 -178.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.604 ' H ' HG23 ' A' ' 69' ' ' VAL . 4.2 p -147.33 139.56 24.5 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.574 -0.739 . . . . 1.12 109.318 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.689 HG21 ' HB3' ' A' ' 56' ' ' PHE . 11.5 p -135.42 140.31 45.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.825 0.345 . . . . 1.09 110.408 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -133.84 138.12 30.12 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 116.259 -0.428 . . . . 1.07 110.205 176.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.524 ' HA ' HG13 ' A' ' 54' ' ' VAL . 78.3 Cg_exo -52.5 113.95 1.45 Allowed 'Trans proline' 0 CA--C 1.532 0.415 0 C-N-CA 123.072 2.515 . . . . 1.22 112.691 179.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.582 HE22 ' HB ' ' A' ' 7' ' ' VAL . 0.5 OUTLIER -89.59 173.63 8.21 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.041 -0.527 . . . . 1.45 110.207 178.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.2 t -135.52 76.95 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.324 -0.621 . . . . 2.35 109.324 174.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.964 ' HA ' ' HD3' ' A' ' 53' ' ' ARG . 10.2 pt20 42.02 -101.08 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.232 -0.895 . . . . 2.92 113.398 -176.321 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.586 ' H ' ' HG3' ' A' ' 76' ' ' GLN . 4.7 m -84.08 -1.09 54.23 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 112.491 0.552 . . . . 4.2 112.491 -172.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.05 102.54 3.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.955 0.407 . . . . 3.65 110.522 178.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 139.77 -15.48 3.1 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.541 -0.623 . . . . 5.36 111.541 -176.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -141.72 172.01 13.28 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.036 -0.357 . . . . 7.0 110.036 177.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 48.6 pttt -97.0 132.16 26.35 Favored Pre-proline 0 C--N 1.323 -0.569 0 C-N-CA 120.737 -0.385 . . . . 11.04 110.353 177.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo . . . . . 0 C--O 1.25 1.098 0 C-N-CA 122.455 2.103 . . . . 11.77 111.795 175.373 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.907 0 N-CA-C 111.812 -0.515 . . . . 2.16 111.812 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -62.75 124.8 14.74 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 123.395 2.73 . . . . 1.39 112.973 -174.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -95.83 121.88 38.02 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.059 -0.973 . . . . 1.13 109.597 179.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.41 ' HB3' ' OG ' ' A' ' 27' ' ' SER . 67.0 m-70 -122.97 125.81 45.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.181 -0.463 . . . . 0.64 110.023 -176.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.822 ' HG2' ' HB2' ' A' ' 57' ' ' SER . 75.0 mtt180 -75.42 141.54 43.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.833 0.349 . . . . 2.93 110.726 176.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -146.99 144.47 29.19 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.405 -0.816 . . . . 1.12 110.697 -178.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.6 m -111.97 152.07 13.89 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 115.904 -0.589 . . . . 1.05 110.419 175.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.451 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 178.77 -166.96 37.03 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.373 -0.918 . . . . 0.28 112.301 178.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.405 ' HA ' ' HA ' ' A' ' 53' ' ' ARG . 62.7 ttt180 -123.11 136.1 54.65 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.377 -0.601 . . . . 3.71 109.377 -178.354 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.574 HD12 HG23 ' A' ' 54' ' ' VAL . 30.9 mm -67.53 133.27 31.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.906 0.384 . . . . 1.06 110.11 -176.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.572 ' HG2' HG21 ' A' ' 34' ' ' THR . 2.9 tp-100 -93.69 -49.72 5.72 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.91 -0.587 . . . . 1.15 109.656 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.536 ' HA ' ' HB3' ' A' ' 50' ' ' ALA . 43.5 m -161.66 153.03 18.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.979 -0.555 . . . . 1.05 110.114 177.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.796 HG23 HD21 ' A' ' 18' ' ' LEU . 42.9 mt -99.82 134.03 40.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.733 0.301 . . . . 1.42 110.301 177.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 17' ' ' SER . . . -102.29 -150.84 23.34 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 121.249 -0.501 . . . . 1.06 111.958 178.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -100.75 -36.99 8.91 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.409 0.623 . . . . 2.55 109.84 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.21 3.35 2.86 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.305 -0.861 . . . . 4.52 110.55 178.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.413 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 8.3 p -155.29 147.81 24.07 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.587 -0.733 . . . . 1.27 109.711 179.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.796 HD21 HG23 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -124.59 145.95 49.32 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 109.53 -0.544 . . . . 1.62 109.53 179.477 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.608 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 20.3 mt -92.6 129.83 42.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 N-CA-C 109.459 -0.571 . . . . 1.26 109.459 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 54.3 mt -129.47 128.5 66.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.315 -0.402 . . . . 1.07 111.052 -176.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.516 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -77.87 94.41 4.54 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.281 -0.637 . . . . 1.1 109.281 171.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.451 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 25.6 p80 -96.77 153.77 17.68 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.275 -0.42 . . . . 0.38 111.193 -176.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -63.59 -169.51 0.03 OUTLIER 'General case' 0 C--O 1.239 0.517 0 CA-C-N 115.249 -0.887 . . . . 3.05 111.381 175.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.54 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -63.85 -32.09 73.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.01 -0.541 . . . . 1.5 111.534 -176.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.444 HD13 ' CE3' ' A' ' 30' ' ' TRP . 52.9 mt 67.86 86.15 0.13 Allowed Pre-proline 0 C--N 1.321 -0.648 0 CA-C-O 121.037 0.446 . . . . 1.26 110.145 -178.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -72.56 -3.18 12.98 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.89 2.393 . . . . 1.29 112.065 -177.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.41 ' OG ' ' HB3' ' A' ' 4' ' ' HIS . 6.1 p -90.82 -21.23 21.59 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.121 -0.49 . . . . 1.43 110.731 178.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -117.42 -7.45 11.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.411 -0.358 . . . . 1.34 111.239 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 62.86 42.26 7.97 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.991 -0.55 . . . . 2.21 111.623 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.444 ' CE3' HD13 ' A' ' 25' ' ' ILE . 48.3 m0 -92.8 173.94 7.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.159 -0.473 . . . . 1.12 109.795 175.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.65 29.38 6.95 Favored Glycine 0 C--N 1.32 -0.354 0 C-N-CA 120.197 -1.001 . . . . 1.67 113.611 -174.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.54 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 68.53 123.79 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.126 0.571 . . . . 1.16 112.05 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.617 ' HE1' ' SD ' ' A' ' 35' ' ' MET . 17.2 ptt? -172.14 152.79 2.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.792 -0.64 . . . . 1.47 110.786 -178.078 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.572 HG21 ' HG2' ' A' ' 11' ' ' GLN . 46.4 m -82.56 105.22 13.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.013 -0.539 . . . . 1.15 110.446 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.617 ' SD ' ' HE1' ' A' ' 33' ' ' MET . 81.3 mtp -120.36 164.69 15.95 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 116.082 -0.508 . . . . 2.01 111.88 -177.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.608 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 41.0 tt0 -101.95 131.35 48.4 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.441 -0.799 . . . . 1.0 110.444 179.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -115.41 140.54 49.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.43 110.337 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.63 149.34 27.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.211 -0.45 . . . . 1.12 110.998 -176.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.91 134.77 95.15 Favored Pre-proline 0 C--O 1.236 0.379 0 CA-C-N 116.423 -0.353 . . . . 1.22 111.825 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.28 157.84 38.36 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 123.075 2.517 . . . . 1.49 111.975 175.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -63.9 -8.6 16.29 Favored 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 122.806 2.337 . . . . 2.4 112.958 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.93 -15.86 25.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.477 -0.329 . . . . 1.64 111.502 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.14 174.88 26.44 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 120.942 -0.646 . . . . 1.0 111.545 -177.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.416 HD11 HD22 ' A' ' 18' ' ' LEU . 66.3 mt -104.69 133.52 20.13 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-O 120.88 0.371 . . . . 1.53 111.292 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.471 ' HD2' HD23 ' A' ' 48' ' ' LEU . 84.1 Cg_endo -83.15 -173.09 1.55 Allowed 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 123.496 2.798 . . . . 0.92 111.987 175.124 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -98.48 157.37 16.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.301 -0.409 . . . . 2.23 110.776 172.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.23 14.58 27.99 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.787 -0.721 . . . . 0.67 111.709 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.745 HD21 HG12 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -127.48 46.75 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.761 0.315 . . . . 1.65 111.116 179.569 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.547 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 7.1 ptpp? -95.3 164.4 12.85 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.725 -0.39 . . . . 3.53 110.395 -173.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.536 ' HB3' ' HA ' ' A' ' 12' ' ' SER . . . -54.14 103.17 0.07 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.701 -0.681 . . . . 1.1 110.543 176.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 125.97 -20.67 6.32 Favored Glycine 0 N--CA 1.442 -0.956 0 C-N-CA 120.86 -0.686 . . . . 0.38 112.549 -178.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.529 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 62.8 m-20 -80.49 146.39 31.39 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 116.964 0.382 . . . . 0.53 110.709 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.429 ' HD3' ' HA ' ' A' ' 76' ' ' GLN . 32.8 ttm105 -102.27 122.59 44.51 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.343 -0.614 . . . . 3.72 109.343 172.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.574 HG23 HD12 ' A' ' 10' ' ' ILE . 17.2 m -127.98 153.32 37.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.283 0.563 . . . . 1.11 111.768 -172.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.4 118.92 37.92 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.555 -0.905 . . . . 1.03 108.555 173.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.652 ' HB3' HG23 ' A' ' 71' ' ' VAL . 50.5 p90 -138.3 -179.58 5.88 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.765 0.317 . . . . 0.43 111.176 -171.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.822 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 32.2 t -135.59 -178.28 5.05 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 107.864 -1.161 . . . . 1.47 107.864 168.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -171.66 155.56 4.06 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.785 -0.45 . . . . 0.5 109.785 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -108.62 149.13 29.35 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.928 -0.397 . . . . 3.57 109.928 178.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.8 mt -94.73 105.39 17.33 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.956 -0.757 . . . . 1.59 108.956 166.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.639 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 22.1 m-20 -77.61 160.0 75.72 Favored Pre-proline 0 C--N 1.314 -0.953 0 N-CA-C 108.553 -0.906 . . . . 1.87 108.553 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -66.82 1.42 2.76 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 123.205 2.604 . . . . 1.81 113.952 -169.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -102.83 2.84 35.99 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.026 0.441 . . . . 2.88 110.655 176.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.54 34.07 29.47 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.276 -1.13 . . . . 1.2 110.276 -174.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.639 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 92.2 mmm -96.5 147.72 23.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.108 -0.546 . . . . 3.17 110.253 -177.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.94 97.4 5.67 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.631 -0.878 . . . . 1.18 108.631 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.4 m -110.41 123.67 50.31 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.592 -0.731 . . . . 1.4 111.12 -172.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.6 tp -65.18 136.99 57.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.253 -0.885 . . . . 1.82 109.955 -179.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.606 HG22 ' C ' ' A' ' 57' ' ' SER . 14.1 m -104.44 -57.13 4.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.11 0.481 . . . . 1.61 111.782 -178.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.591 ' H ' HG21 ' A' ' 69' ' ' VAL . 13.8 p -145.42 145.59 31.19 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.822 -0.807 . . . . 1.12 108.822 -178.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.745 HG12 HD21 ' A' ' 48' ' ' LEU . 8.7 p -142.43 137.81 29.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.894 0.378 . . . . 1.09 110.427 -179.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -137.12 137.95 24.2 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.232 -0.44 . . . . 1.07 110.682 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -61.4 126.37 19.09 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.725 2.283 . . . . 1.22 111.716 177.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.508 ' HG2' ' C ' ' A' ' 54' ' ' VAL . 1.8 pt20 -128.27 175.75 8.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.307 0.575 . . . . 1.45 111.154 -176.12 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.572 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 9.5 m -128.93 73.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.629 -0.714 . . . . 2.35 110.928 -176.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' A' ' 75' ' ' VAL . 19.2 pt20 58.13 -60.62 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.312 1.445 . . . . 2.92 114.869 176.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.465 HG22 ' HG3' ' A' ' 76' ' ' GLN . 11.5 p -87.91 23.35 2.07 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 113.144 0.794 . . . . 4.2 113.144 -173.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.49 23.9 1.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.148 0.499 . . . . 3.65 110.924 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -151.23 -72.73 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 111.548 -0.621 . . . . 5.36 111.548 178.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -149.08 -177.88 6.06 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.794 -0.447 . . . . 7.0 109.794 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 45.0 tttm -100.43 121.47 53.15 Favored Pre-proline 0 C--N 1.324 -0.508 0 C-N-CA 121.151 -0.219 . . . . 11.04 110.57 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo . . . . . 0 N--CA 1.444 -1.385 0 C-N-CA 122.811 2.341 . . . . 11.77 111.201 172.436 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.712 0 N-CA-C 112.026 -0.43 . . . . 2.16 112.026 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -64.26 147.62 91.08 Favored 'Trans proline' 0 C--O 1.237 0.457 0 C-N-CA 123.0 2.467 . . . . 1.39 112.816 -176.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -99.49 133.88 43.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.613 -0.721 . . . . 1.13 109.921 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.555 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 83.5 m-70 -125.54 148.17 49.0 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.28 -0.267 . . . . 0.64 110.28 -178.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.593 ' HD3' ' HB3' ' A' ' 57' ' ' SER . 26.8 mmt180 -79.69 143.67 34.39 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 110.065 -0.346 . . . . 2.93 110.065 178.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -153.13 139.38 18.44 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.871 0.367 . . . . 1.12 110.741 177.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.511 HG21 ' HG3' ' A' ' 23' ' ' GLU . 28.0 m -117.28 149.23 19.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.458 -0.337 . . . . 1.05 110.233 176.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.419 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -173.56 -166.14 31.41 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.433 -0.889 . . . . 0.28 112.779 177.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -121.25 147.49 45.56 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.167 -0.308 . . . . 3.71 110.167 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.551 HD13 HG22 ' A' ' 54' ' ' VAL . 34.9 mm -83.38 128.97 38.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.455 -0.339 . . . . 1.06 111.415 -178.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 -92.7 -50.82 5.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.0 0.429 . . . . 1.15 110.116 173.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.1 m -160.16 150.57 18.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.788 -0.642 . . . . 1.05 109.934 177.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.662 HD13 ' HA ' ' A' ' 49' ' ' LYS . 76.4 mt -99.25 144.11 12.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.192 -0.458 . . . . 1.42 110.67 -179.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.662 ' H ' ' HB3' ' A' ' 18' ' ' LEU . . . -128.25 160.48 22.02 Favored Glycine 0 N--CA 1.44 -1.051 0 N-CA-C 110.949 -0.86 . . . . 1.06 110.949 175.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -68.55 -33.74 74.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.056 0.455 . . . . 2.55 110.896 -176.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' HD2' ' H ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -115.5 -25.49 7.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.028 -0.533 . . . . 4.52 110.504 -176.844 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.502 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 17.9 p -158.15 149.05 20.78 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.028 -0.533 . . . . 1.27 110.182 -178.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.662 ' HB3' ' H ' ' A' ' 14' ' ' GLY . 0.7 OUTLIER -140.01 160.16 40.56 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.181 -0.463 . . . . 1.62 110.778 -176.88 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.601 HG22 HG22 ' A' ' 34' ' ' THR . 8.1 mt -103.25 130.92 52.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.218 -0.447 . . . . 1.26 111.024 -173.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.452 HG12 HD11 ' A' ' 10' ' ' ILE . 88.0 mt -132.87 120.91 43.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.288 -0.869 . . . . 1.07 110.475 -178.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.662 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -72.86 91.23 1.5 Allowed 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.133 -0.691 . . . . 1.1 109.133 170.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.419 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 28.8 p80 -84.76 154.26 22.51 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.585 -0.734 . . . . 0.38 110.432 -178.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.511 ' HG3' HG21 ' A' ' 7' ' ' VAL . 5.6 mm-40 -63.94 -170.54 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.395 -0.82 . . . . 3.05 110.326 174.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.77 -43.73 98.27 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.053 -0.521 . . . . 1.5 110.91 -178.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 51.9 mt 71.95 90.06 0.08 OUTLIER Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 115.619 -0.719 . . . . 1.26 111.144 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -66.45 -19.15 55.31 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.585 2.19 . . . . 1.29 111.334 176.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.555 ' HB3' ' HB3' ' A' ' 4' ' ' HIS . 3.4 m -61.02 -30.92 70.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.343 -0.844 . . . . 1.43 111.457 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.99 2.23 9.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.294 -0.412 . . . . 1.34 111.371 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 60.18 36.77 20.95 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.325 0.583 . . . . 2.21 110.9 -178.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 31.4 m0 -94.42 175.23 6.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.512 -0.767 . . . . 1.12 111.462 -178.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -104.68 167.27 15.3 Favored Glycine 0 N--CA 1.442 -0.958 0 CA-C-N 115.212 -0.904 . . . . 1.67 111.231 171.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.0 119.98 20.7 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.761 0.315 . . . . 1.16 110.271 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -163.25 152.8 15.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.368 0.604 . . . . 1.47 111.739 -175.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.662 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 3.4 m -79.18 109.02 13.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.005 -0.998 . . . . 1.15 110.231 179.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 72.5 mtp -125.62 164.68 20.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.171 -0.468 . . . . 2.01 112.221 -179.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -101.11 137.23 39.74 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.379 -0.828 . . . . 1.0 110.499 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -117.53 131.13 56.75 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.491 -0.559 . . . . 0.43 109.491 176.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.6 ' HB1' HG22 ' A' ' 67' ' ' THR . . . -70.81 131.22 43.49 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.906 -0.405 . . . . 1.12 109.906 178.185 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.1 145.61 65.59 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 116.343 -0.39 . . . . 1.22 111.089 -176.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -61.77 152.73 72.44 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.36 2.04 . . . . 1.49 110.973 175.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.89 -16.74 40.03 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.995 2.463 . . . . 2.4 112.55 -177.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.75 -28.88 62.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.175 -0.466 . . . . 1.64 110.813 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 109.4 -176.17 19.39 Favored Glycine 0 N--CA 1.44 -1.073 0 N-CA-C 111.352 -0.699 . . . . 1.0 111.352 -178.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.468 ' HG ' ' CD2' ' A' ' 18' ' ' LEU . 2.7 mm? -101.12 141.59 22.92 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-O 120.635 0.255 . . . . 1.53 111.02 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.569 ' HD2' HD22 ' A' ' 48' ' ' LEU . 57.2 Cg_endo -78.09 -168.34 0.6 Allowed 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 123.034 2.489 . . . . 0.92 112.131 174.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.632 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -108.6 151.32 26.28 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.812 -0.631 . . . . 2.23 110.288 179.544 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.36 15.1 22.32 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 116.133 -0.485 . . . . 0.67 112.3 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.569 HD22 ' HD2' ' A' ' 45' ' ' PRO . 0.4 OUTLIER -133.19 53.1 2.04 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.953 0.406 . . . . 1.65 111.613 -177.29 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.662 ' HA ' HD13 ' A' ' 13' ' ' ILE . 32.7 mmtp -93.75 162.35 13.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.505 -0.316 . . . . 3.53 110.608 -175.218 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.91 112.2 0.49 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.045 -0.525 . . . . 1.1 110.815 174.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.62 -11.87 25.53 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.675 -0.774 . . . . 0.38 112.768 -178.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -86.15 155.07 20.91 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 121.101 0.477 . . . . 0.53 110.796 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.546 ' HG2' ' NE2' ' A' ' 74' ' ' GLN . 19.8 ttt85 -106.28 127.97 53.63 Favored 'General case' 0 N--CA 1.435 -1.175 0 N-CA-C 108.181 -1.044 . . . . 3.72 108.181 170.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.551 HG22 HD13 ' A' ' 10' ' ' ILE . 12.5 m -128.81 144.69 37.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.007 0.432 . . . . 1.11 111.48 -174.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.609 ' HB1' ' HG3' ' A' ' 74' ' ' GLN . . . -105.83 120.91 42.93 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.847 -0.797 . . . . 1.03 108.847 175.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.537 ' HB3' HG21 ' A' ' 71' ' ' VAL . 41.9 p90 -138.14 179.14 6.62 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.43 0.634 . . . . 0.43 112.071 -171.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.593 ' HB3' ' HD3' ' A' ' 5' ' ' ARG . 12.1 p -138.32 142.65 39.74 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.153 -0.93 . . . . 1.47 109.631 171.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -130.77 155.76 46.12 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.975 -0.557 . . . . 0.5 109.839 -177.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.614 ' HG3' HG23 ' A' ' 69' ' ' VAL . 76.2 mtt180 -107.33 137.39 45.46 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.856 0.36 . . . . 3.57 110.477 177.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.431 HD21 ' O ' ' A' ' 65' ' ' MET . 16.4 mt -103.68 127.44 51.14 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.487 -0.779 . . . . 1.59 110.554 178.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.472 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 1.6 m-20 -92.22 167.31 15.24 Favored Pre-proline 0 C--N 1.319 -0.75 0 N-CA-C 109.204 -0.665 . . . . 1.87 109.204 172.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.472 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 13.3 Cg_exo -68.42 -4.82 13.66 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.969 2.446 . . . . 1.81 111.735 -174.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.571 ' HB2' ' HG3' ' A' ' 65' ' ' MET . 82.7 m-70 -88.74 -12.6 41.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.28 -0.873 . . . . 2.88 109.988 177.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.96 32.94 16.39 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.102 -0.954 . . . . 1.2 110.966 -175.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.571 ' HG3' ' HB2' ' A' ' 63' ' ' HIS . 43.6 mtm -95.72 142.22 28.27 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 109.509 -0.552 . . . . 3.17 109.509 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.84 105.56 11.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.256 0.55 . . . . 1.18 110.04 -174.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.6 HG22 ' HB1' ' A' ' 38' ' ' ALA . 1.4 m -108.62 126.84 53.4 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.645 -0.707 . . . . 1.4 110.312 -177.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.46 130.79 40.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.105 -0.498 . . . . 1.82 109.661 -177.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.614 HG23 ' HG3' ' A' ' 59' ' ' ARG . 12.6 t -107.0 -67.36 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.063 0.458 . . . . 1.61 110.728 -178.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.7 p -132.05 130.72 41.67 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.142 -0.481 . . . . 1.12 110.881 -178.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.537 HG21 ' HB3' ' A' ' 56' ' ' PHE . 7.2 p -130.79 132.96 63.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.249 -0.432 . . . . 1.09 110.42 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -123.39 142.01 37.65 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.091 -0.504 . . . . 1.07 110.137 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -54.23 110.88 0.57 Allowed 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.859 2.373 . . . . 1.22 112.7 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.609 ' HG3' ' HB1' ' A' ' 55' ' ' ALA . 1.7 tt0 -81.79 173.82 11.92 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.819 -0.628 . . . . 1.45 109.829 176.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.454 ' O ' ' HB2' ' A' ' 76' ' ' GLN . 5.4 m -140.76 83.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 115.83 -0.623 . . . . 2.35 109.447 178.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.454 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 14.7 mm100 68.64 -157.53 0.18 Allowed 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 115.271 -0.877 . . . . 2.92 109.458 -176.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.4 m -68.69 99.17 0.97 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.084 0.468 . . . . 4.2 110.645 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -122.25 90.21 3.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.811 -0.631 . . . . 3.65 110.298 178.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -166.58 57.09 0.24 Allowed Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 110.899 -0.88 . . . . 5.36 110.899 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 69.54 168.04 0.29 Allowed 'General case' 0 C--O 1.234 0.289 0 O-C-N 124.395 0.703 . . . . 7.0 110.397 -174.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.449 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 22.5 pttm -108.84 133.39 20.69 Favored Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 109.955 -0.387 . . . . 11.04 109.955 177.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 81' ' ' LYS . 8.5 Cg_endo . . . . . 0 C--O 1.25 1.089 0 C-N-CA 123.325 2.683 . . . . 11.77 111.86 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.594 ' HA3' ' O ' ' A' ' 60' ' ' LEU . . . . . . . . 0 N--CA 1.484 1.897 0 N-CA-C 112.115 -0.394 . . . . 2.16 112.115 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -63.95 145.55 90.21 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 123.024 2.483 . . . . 1.39 113.113 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -90.43 120.93 31.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.432 -0.804 . . . . 1.13 110.762 -176.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.505 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 26.2 m-70 -118.29 127.45 53.73 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.504 -0.554 . . . . 0.64 109.504 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.584 ' HG2' ' HB2' ' A' ' 57' ' ' SER . 59.2 mtt180 -77.83 150.49 34.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.017 0.437 . . . . 2.93 111.75 176.098 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.428 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . . . -158.34 150.01 21.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.55 -0.75 . . . . 1.12 110.864 177.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.3 m -115.55 150.59 17.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.232 -0.44 . . . . 1.05 110.387 175.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.494 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -174.67 -175.56 42.29 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.307 -0.949 . . . . 0.28 112.379 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.4 ttp85 -115.36 130.76 56.99 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.98 -0.748 . . . . 3.71 108.98 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.649 HD12 HG21 ' A' ' 54' ' ' VAL . 49.1 mm -64.05 126.91 23.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 116.164 -0.471 . . . . 1.06 110.957 -176.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -89.02 -53.08 4.75 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.716 -0.675 . . . . 1.15 109.571 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.0 m -160.67 147.82 15.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.271 -0.422 . . . . 1.05 110.3 176.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.708 HD12 ' HA ' ' A' ' 49' ' ' LYS . 80.4 mt -97.11 131.71 43.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.064 0.459 . . . . 1.42 110.676 178.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -96.3 -149.63 25.85 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.55 -0.75 . . . . 1.06 111.631 177.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.631 ' HG2' ' HG3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -107.12 -39.24 5.77 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.198 0.523 . . . . 2.55 109.949 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.631 ' HG3' ' HG2' ' A' ' 15' ' ' GLU . 98.8 mtt180 -121.49 -2.45 9.46 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 115.53 -0.759 . . . . 4.52 110.19 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.458 ' HG ' ' HG2' ' A' ' 36' ' ' GLU . 3.5 t -155.29 -177.78 6.79 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 108.038 -1.097 . . . . 1.27 108.038 -175.277 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.414 ' HB3' ' HA ' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -165.28 145.99 7.19 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 120.849 0.357 . . . . 1.62 110.608 176.318 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.637 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 16.3 mt -93.32 127.59 45.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.822 -0.626 . . . . 1.26 109.745 -176.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.4 mt -126.72 121.8 59.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.021 -0.536 . . . . 1.07 110.381 -176.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.628 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -72.79 93.79 1.72 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.528 -0.545 . . . . 1.1 109.528 171.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.494 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 27.6 p80 -94.26 151.97 19.04 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.197 -0.456 . . . . 0.38 111.118 -176.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -71.12 -164.51 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.231 -0.895 . . . . 3.05 111.232 176.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.469 ' O ' ' HD3' ' A' ' 26' ' ' PRO . . . -70.66 116.44 10.98 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.467 -0.788 . . . . 1.5 110.375 176.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.54 ' HB ' ' HB2' ' A' ' 30' ' ' TRP . 58.6 mt -100.05 100.21 11.0 Favored Pre-proline 0 C--N 1.312 -1.064 0 CA-C-N 114.977 -1.01 . . . . 1.26 110.19 177.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.469 ' HD3' ' O ' ' A' ' 24' ' ' ALA . 9.7 Cg_exo -72.33 -11.32 26.62 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.762 2.308 . . . . 1.29 112.435 -178.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.505 ' CB ' ' HB3' ' A' ' 4' ' ' HIS . 1.4 m -76.21 -36.71 58.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.098 0.475 . . . . 1.43 110.876 -179.509 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -118.1 6.16 12.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.079 -0.51 . . . . 1.34 110.844 -178.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 62.84 28.44 16.41 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.542 -0.753 . . . . 2.21 111.28 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.54 ' HB2' ' HB ' ' A' ' 25' ' ' ILE . 45.2 m0 -85.11 109.01 17.95 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.22 -0.659 . . . . 1.12 109.22 178.275 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -90.36 69.64 2.28 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.898 -0.668 . . . . 1.67 113.033 -171.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 55.09 101.94 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.966 0.728 . . . . 1.16 112.966 174.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.622 ' HE2' ' SD ' ' A' ' 35' ' ' MET . 19.6 ptt? -166.83 150.04 6.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.912 -0.585 . . . . 1.47 110.398 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.628 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 25.8 m -78.37 107.24 10.86 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.709 -0.678 . . . . 1.15 110.725 -177.144 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.622 ' SD ' ' HE2' ' A' ' 33' ' ' MET . 91.6 mtp -129.01 162.78 26.84 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 116.137 -0.483 . . . . 2.01 111.477 -178.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.637 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 31.7 tt0 -96.66 147.67 23.65 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.251 -0.886 . . . . 1.0 110.531 -177.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.484 ' HB3' ' HB2' ' A' ' 68' ' ' LEU . 96.4 m-85 -131.45 114.5 15.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.384 -0.371 . . . . 0.43 110.432 -177.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.63 132.41 53.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.765 -0.652 . . . . 1.12 111.372 -177.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.72 145.95 95.26 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.149 -0.478 . . . . 1.22 111.585 -176.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -64.21 152.62 80.47 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.376 2.051 . . . . 1.49 111.005 173.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.57 -14.09 24.32 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.201 2.601 . . . . 2.4 112.924 -177.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.99 -29.58 60.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.315 -0.402 . . . . 1.64 111.122 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.6 179.77 20.42 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.969 -0.634 . . . . 1.0 112.105 -179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.425 HD21 ' N ' ' A' ' 44' ' ' LEU . 2.5 mm? -105.8 142.31 24.52 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-O 120.842 0.353 . . . . 1.53 111.325 -178.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.685 ' HD2' HD22 ' A' ' 48' ' ' LEU . 88.3 Cg_endo -87.18 -172.14 0.86 Allowed 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 123.287 2.658 . . . . 0.92 111.425 170.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.625 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -111.0 148.79 31.79 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.111 -0.495 . . . . 2.23 109.927 175.224 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.84 10.88 11.82 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 111.42 -0.672 . . . . 0.67 111.42 -177.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.685 HD22 ' HD2' ' A' ' 45' ' ' PRO . 0.5 OUTLIER -129.65 47.97 2.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.097 0.475 . . . . 1.65 110.342 -178.833 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.708 ' HA ' HD12 ' A' ' 13' ' ' ILE . 6.8 ptpp? -95.36 170.73 9.17 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.162 -0.472 . . . . 3.53 110.648 -170.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.41 112.97 0.83 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.89 -0.596 . . . . 1.1 111.077 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 106.49 -3.08 36.89 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.658 -0.782 . . . . 0.38 112.541 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.587 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 6.5 m-20 -88.94 153.52 20.97 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 121.039 0.447 . . . . 0.53 110.479 175.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -105.86 121.63 44.45 Favored 'General case' 0 N--CA 1.437 -1.125 0 N-CA-C 108.421 -0.955 . . . . 3.72 108.421 172.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.649 HG21 HD12 ' A' ' 10' ' ' ILE . 16.5 m -125.91 151.6 32.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-O 121.075 0.464 . . . . 1.11 111.221 -177.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.72 118.08 35.59 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.443 -0.947 . . . . 1.03 108.443 175.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.707 ' HB3' HG23 ' A' ' 71' ' ' VAL . 46.1 p90 -133.23 174.58 10.23 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.405 0.621 . . . . 0.43 112.357 -170.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.584 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 5.5 t -143.09 139.77 30.6 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.344 -0.844 . . . . 1.47 108.888 173.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.401 ' HD2' HD21 ' A' ' 60' ' ' LEU . 36.4 p90 -135.46 150.84 49.93 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.093 -0.503 . . . . 0.5 110.402 -174.186 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.671 ' HG3' HG22 ' A' ' 69' ' ' VAL . 42.6 mtm-85 -103.9 133.96 48.0 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.801 0.334 . . . . 3.57 110.383 178.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.656 HD22 ' HA ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -109.72 130.14 55.54 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 115.694 -0.684 . . . . 1.59 110.721 179.802 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.424 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 16.0 m-20 -99.11 165.57 14.63 Favored Pre-proline 0 C--N 1.317 -0.821 0 CA-C-N 116.031 -0.531 . . . . 1.87 109.686 174.22 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.416 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 16.7 Cg_exo -68.43 -7.14 19.38 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 123.161 2.574 . . . . 1.81 111.534 -176.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -85.95 -12.48 50.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.385 -0.825 . . . . 2.88 110.463 177.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.35 18.17 39.99 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.75 -0.94 . . . . 1.2 110.75 -175.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.424 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 77.5 mtp -74.91 118.26 17.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.267 -0.466 . . . . 3.17 109.791 -179.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.656 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -105.48 98.81 8.45 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.399 -0.593 . . . . 1.18 109.399 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.57 121.28 44.74 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.636 -0.711 . . . . 1.4 110.957 -172.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.484 ' HB2' ' HB3' ' A' ' 37' ' ' PHE . 41.5 tp -74.01 131.53 41.48 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.734 -0.469 . . . . 1.82 109.734 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.671 HG22 ' HG3' ' A' ' 59' ' ' ARG . 24.7 t -103.01 -55.18 6.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.024 0.44 . . . . 1.61 110.831 -177.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.7 p -143.13 146.24 33.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.616 -0.72 . . . . 1.12 110.265 -179.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.707 HG23 ' HB3' ' A' ' 56' ' ' PHE . 12.4 p -144.29 132.37 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.941 0.4 . . . . 1.09 110.203 175.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -119.68 140.1 28.95 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 116.28 -0.418 . . . . 1.07 110.327 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.83 115.45 3.26 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.504 2.136 . . . . 1.22 111.779 178.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.543 ' HG3' ' N ' ' A' ' 75' ' ' VAL . 1.8 pt20 -112.86 177.9 4.47 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.788 -0.642 . . . . 1.45 109.732 -177.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.543 ' N ' ' HG3' ' A' ' 74' ' ' GLN . 3.7 p -155.78 88.18 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-O 121.574 0.702 . . . . 2.35 110.704 -178.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 76' ' ' GLN . 23.3 tp60 60.02 37.63 21.12 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.418 -0.81 . . . . 2.92 110.649 175.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.4 m 55.18 75.94 0.29 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.648 0.737 . . . . 4.2 110.762 -177.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -95.8 117.22 30.15 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.366 -0.834 . . . . 3.65 110.949 -178.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.03 -130.63 5.93 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.468 -0.653 . . . . 5.36 111.468 176.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -140.65 101.66 4.14 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.86 0.362 . . . . 7.0 110.129 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.448 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 34.0 ttpt -108.63 128.52 25.41 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 116.381 -0.372 . . . . 11.04 110.422 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 81' ' ' LYS . 5.9 Cg_exo . . . . . 0 C--O 1.25 1.08 0 C-N-CA 122.802 2.335 . . . . 11.77 111.652 176.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.545 0 N-CA-C 112.028 -0.429 . . . . 2.16 112.028 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.25 158.77 33.43 Favored 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 122.912 2.408 . . . . 1.39 113.234 -176.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -96.33 139.91 31.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.279 -0.873 . . . . 1.13 109.366 176.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -126.4 141.34 51.93 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.114 -0.328 . . . . 0.64 110.114 -177.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.462 ' HA ' ' HD3' ' A' ' 5' ' ' ARG . 2.5 mmt180 -85.01 128.91 34.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.121 -0.491 . . . . 2.93 110.61 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -137.73 128.23 26.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.073 0.463 . . . . 1.12 111.72 -173.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.701 HG13 ' HB2' ' A' ' 82' ' ' PRO . 27.4 m -110.43 151.75 12.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.092 -0.504 . . . . 1.05 110.473 174.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.577 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -179.06 -162.63 28.73 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.52 -0.847 . . . . 0.28 112.425 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.5 ttp-105 -125.28 133.71 52.55 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.446 -0.575 . . . . 3.71 109.446 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.564 HD11 HG23 ' A' ' 54' ' ' VAL . 41.8 mm -64.98 123.91 18.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.803 0.335 . . . . 1.06 110.412 -177.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -88.21 -53.92 4.46 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.844 -0.616 . . . . 1.15 109.456 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.7 m -159.82 158.73 31.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.767 -0.651 . . . . 1.05 109.249 175.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.856 HD12 ' HA ' ' A' ' 49' ' ' LYS . 69.2 mt -110.95 144.09 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.401 0.62 . . . . 1.42 111.833 -175.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.697 ' H ' ' HB3' ' A' ' 18' ' ' LEU . . . -131.99 160.37 23.57 Favored Glycine 0 N--CA 1.44 -1.05 0 N-CA-C 110.427 -1.069 . . . . 1.06 110.427 171.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -60.74 -42.88 98.23 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 111.833 0.308 . . . . 2.55 111.833 -176.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.84 -4.63 8.6 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.457 -0.497 . . . . 4.52 112.086 -175.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.423 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 10.5 p -157.71 146.26 19.27 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.727 -0.472 . . . . 1.27 109.727 172.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.697 ' HB3' ' H ' ' A' ' 14' ' ' GLY . 1.1 pp -145.41 152.01 39.16 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-O 120.954 0.407 . . . . 1.62 111.207 -178.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.555 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 9.4 mt -98.06 129.54 48.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.689 -0.687 . . . . 1.26 110.289 -174.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 82.1 mt -127.61 123.14 60.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.01 -0.541 . . . . 1.07 110.29 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.523 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -71.73 90.9 1.09 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.042 -0.725 . . . . 1.1 109.042 171.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.577 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 28.6 p80 -93.29 150.32 20.57 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.021 -0.536 . . . . 0.38 110.242 -177.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.43 ' O ' HG13 ' A' ' 25' ' ' ILE . 58.8 mt-10 -79.1 -160.34 0.23 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.774 -0.648 . . . . 3.05 110.614 178.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.435 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -54.12 -46.28 72.14 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.933 0.716 . . . . 1.5 112.933 -173.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 23' ' ' GLU . 44.0 mt 70.17 88.63 0.1 OUTLIER Pre-proline 0 C--N 1.317 -0.812 0 CA-C-O 121.026 0.441 . . . . 1.26 110.492 -176.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.49 -31.15 71.87 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.481 2.12 . . . . 1.29 111.774 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 m -68.48 -18.53 64.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.754 -0.657 . . . . 1.43 111.997 -176.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.01 -6.33 10.49 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.011 -0.276 . . . . 1.34 111.525 -177.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 63.01 35.69 12.98 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.998 -0.546 . . . . 2.21 110.709 -178.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.432 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 45.2 m0 -90.76 173.85 7.79 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.647 -0.501 . . . . 1.12 109.647 178.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.99 44.5 1.23 Allowed Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.187 -1.006 . . . . 1.67 113.879 -177.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.435 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 66.13 120.78 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.165 0.802 . . . . 1.16 113.165 174.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.531 ' HE2' ' SD ' ' A' ' 35' ' ' MET . 14.6 ptt? -171.66 145.27 1.97 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.046 -0.525 . . . . 1.47 110.931 179.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.523 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 13.8 m -75.33 106.48 6.89 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.042 -0.526 . . . . 1.15 110.175 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.531 ' SD ' ' HE2' ' A' ' 33' ' ' MET . 85.3 mtp -125.95 165.03 19.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.202 0.525 . . . . 2.01 112.18 -176.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.555 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 88.1 tt0 -104.59 138.58 40.72 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.962 -1.017 . . . . 1.0 110.252 -178.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -119.33 136.47 54.24 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.357 -0.383 . . . . 0.43 110.107 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.29 135.74 36.83 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.229 -0.441 . . . . 1.12 110.21 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.409 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . . . -95.13 143.41 26.06 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.331 -0.395 . . . . 1.22 110.589 -178.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 39' ' ' ALA . 24.2 Cg_exo -63.73 152.58 79.87 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.621 2.214 . . . . 1.49 110.808 173.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -62.98 -1.03 2.45 Favored 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 123.062 2.508 . . . . 2.4 113.399 -177.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.38 -21.59 38.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.928 0.394 . . . . 1.64 110.595 176.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.84 171.65 37.32 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 121.035 -0.603 . . . . 1.0 112.504 178.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.53 ' HG ' HD22 ' A' ' 18' ' ' LEU . 2.8 mm? -92.79 145.62 30.62 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-O 121.018 0.437 . . . . 1.53 111.379 -176.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.611 ' HD2' HD22 ' A' ' 48' ' ' LEU . 45.0 Cg_endo -74.91 -166.6 0.35 Allowed 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.866 2.378 . . . . 0.92 112.245 174.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -102.36 154.28 19.22 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.712 -0.676 . . . . 2.23 109.683 178.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.99 9.68 48.09 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.564 -0.827 . . . . 0.67 113.195 176.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.611 HD22 ' HD2' ' A' ' 45' ' ' PRO . 0.5 OUTLIER -124.96 50.82 1.71 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.726 0.298 . . . . 1.65 111.762 -177.68 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.856 ' HA ' HD12 ' A' ' 13' ' ' ILE . 71.1 mmtt -94.21 158.79 15.43 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.337 -0.246 . . . . 3.53 110.337 -175.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.25 110.2 0.25 Allowed 'General case' 0 C--O 1.232 0.175 0 O-C-N 123.465 0.478 . . . . 1.1 111.044 177.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.76 -18.59 12.82 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.762 -0.732 . . . . 0.38 112.876 -178.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -81.24 158.58 24.79 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.424 0.63 . . . . 0.53 111.508 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -110.47 120.81 43.62 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.237 -0.892 . . . . 3.72 108.746 174.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.564 HG23 HD11 ' A' ' 10' ' ' ILE . 15.7 m -129.58 156.86 42.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.806 0.336 . . . . 1.11 110.79 -175.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.547 ' HB1' ' HG3' ' A' ' 74' ' ' GLN . . . -112.24 112.17 23.57 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.23 -0.655 . . . . 1.03 109.23 176.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.495 ' HB3' HG22 ' A' ' 71' ' ' VAL . 10.9 p90 -125.7 174.05 8.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.808 0.813 . . . . 0.43 112.147 -173.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.1 p -128.65 145.49 51.14 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 114.724 -1.125 . . . . 1.47 108.671 173.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -131.57 141.4 49.68 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.082 0.468 . . . . 0.5 110.238 177.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -110.78 134.26 52.65 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.854 -0.612 . . . . 3.57 109.453 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -89.98 118.79 29.8 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.987 0.422 . . . . 1.59 109.882 178.139 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.493 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 15.0 m-20 -89.74 167.48 17.25 Favored Pre-proline 0 C--N 1.314 -0.935 0 CA-C-N 115.795 -0.639 . . . . 1.87 109.279 178.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.493 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 20.4 Cg_exo -65.5 1.78 1.94 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.379 2.719 . . . . 1.81 113.172 -171.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -94.54 -18.98 20.92 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.266 0.555 . . . . 2.88 110.002 177.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.19 15.66 47.07 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 110.872 -0.891 . . . . 1.2 110.872 -177.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.4 mmt -88.26 152.96 21.59 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.173 -0.514 . . . . 3.17 110.096 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -107.19 97.75 7.48 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.85 -0.796 . . . . 1.18 108.85 -177.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.3 m -97.15 122.6 40.34 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.36 -0.836 . . . . 1.4 110.717 -173.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.466 HD22 ' HB2' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -70.33 128.0 34.72 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.619 -0.719 . . . . 1.82 109.559 -177.767 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.0 t -100.26 -66.14 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.056 0.455 . . . . 1.61 111.023 -173.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.3 p -138.07 143.15 40.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.924 -0.58 . . . . 1.12 109.715 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.61 HG11 HD23 ' A' ' 48' ' ' LEU . 13.1 p -133.51 123.26 45.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.371 0.605 . . . . 1.09 110.136 178.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.99 137.67 20.56 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-N 115.907 -0.588 . . . . 1.07 110.033 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -52.4 106.27 0.14 Allowed 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.775 2.317 . . . . 1.22 112.823 176.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.547 ' HG3' ' HB1' ' A' ' 55' ' ' ALA . 1.1 tt0 -86.9 174.51 8.69 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 115.393 -0.822 . . . . 1.45 110.106 176.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.3 p -160.05 79.94 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -1.025 0 CA-C-N 115.07 -0.968 . . . . 2.35 110.014 172.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 71.5 -97.73 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 114.328 -1.305 . . . . 2.92 112.628 171.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.6 t -101.48 -12.56 18.44 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 115.313 -0.858 . . . . 4.2 111.163 -176.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 57.46 -150.97 0.43 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.47 -0.786 . . . . 3.65 110.091 -175.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.62 -36.78 58.33 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.355 -0.926 . . . . 5.36 111.451 174.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -173.76 -51.41 0.01 OUTLIER 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.203 0.525 . . . . 7.0 109.695 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 5.4 tppp? -108.61 121.15 44.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.741 -0.663 . . . . 11.04 110.55 178.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.701 ' HB2' HG13 ' A' ' 7' ' ' VAL . 5.1 Cg_exo . . . . . 0 C--O 1.252 1.218 0 C-N-CA 123.039 2.493 . . . . 11.77 111.297 172.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.64 0 N-CA-C 111.995 -0.442 . . . . 2.16 111.995 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -63.79 125.45 15.44 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.838 2.359 . . . . 1.39 112.041 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -101.56 125.13 48.16 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.287 -0.869 . . . . 1.13 110.228 -176.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -129.28 139.35 51.83 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.557 -0.905 . . . . 0.64 108.557 178.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.715 ' HA ' ' HA ' ' A' ' 57' ' ' SER . 17.7 ptp180 -99.72 160.64 14.15 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.272 -0.571 . . . . 2.93 110.645 178.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -159.69 148.99 18.01 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.36 -0.836 . . . . 1.12 110.39 -178.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.577 ' HB ' HE22 ' A' ' 74' ' ' GLN . 28.8 m -106.76 141.27 22.38 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 115.78 -0.645 . . . . 1.05 109.823 172.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.565 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -163.28 176.34 39.48 Favored Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.117 -1.04 . . . . 0.28 112.576 -177.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -110.97 127.5 55.53 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.726 -0.472 . . . . 3.71 109.726 -178.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.403 HD12 HG21 ' A' ' 54' ' ' VAL . 43.0 mm -63.1 129.83 27.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.911 -0.586 . . . . 1.06 110.72 -177.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.431 ' NE2' ' HB3' ' A' ' 21' ' ' ALA . 2.2 tp-100 -92.08 -51.19 5.31 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 109.164 -0.68 . . . . 1.15 109.164 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.7 m -160.0 153.08 21.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.763 -0.653 . . . . 1.05 110.052 175.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.881 HD12 ' HA ' ' A' ' 49' ' ' LYS . 76.4 mt -100.63 144.89 12.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 123.3 0.375 . . . . 1.42 110.458 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.441 ' HA3' ' O ' ' A' ' 17' ' ' SER . . . -121.91 -157.35 9.98 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 121.023 -0.608 . . . . 1.06 112.364 178.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.822 ' HG3' ' HG2' ' A' ' 16' ' ' ARG . 8.7 pt-20 -89.73 -39.88 12.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.627 0.727 . . . . 2.55 110.45 -175.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.822 ' HG2' ' HG3' ' A' ' 15' ' ' GLU . 9.0 ptp180 -145.81 7.67 1.09 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.689 -1.141 . . . . 4.52 109.271 -177.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.441 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 2.4 p -155.68 146.85 22.53 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 114.766 -1.106 . . . . 1.27 108.942 -177.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.83 152.44 33.75 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-O 121.098 0.475 . . . . 1.62 110.607 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.831 HG21 HG23 ' A' ' 34' ' ' THR . 6.7 mt -100.92 130.23 50.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.516 -0.766 . . . . 1.26 109.833 -172.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 69.4 mt -129.7 125.12 60.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.944 0.402 . . . . 1.07 111.309 -176.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.656 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -79.22 90.72 4.93 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.319 -0.623 . . . . 1.1 109.319 171.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.565 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 26.7 p80 -85.1 155.89 21.3 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.214 -0.448 . . . . 0.38 110.474 -178.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -70.45 -171.2 0.46 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.696 -0.684 . . . . 3.05 110.577 174.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.618 ' O ' ' HD3' ' A' ' 26' ' ' PRO . . . -69.03 117.77 11.09 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.547 -0.751 . . . . 1.5 109.057 172.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 41.9 mt -95.52 102.62 10.36 Favored Pre-proline 0 C--N 1.315 -0.931 0 CA-C-N 115.65 -0.705 . . . . 1.26 110.565 -176.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.618 ' HD3' ' O ' ' A' ' 24' ' ' ALA . 35.8 Cg_exo -63.18 -36.37 58.19 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.469 2.113 . . . . 1.29 111.423 178.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.1 m -58.7 -31.54 68.33 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.846 -0.615 . . . . 1.43 111.97 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -114.81 3.07 14.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.699 0.285 . . . . 1.34 111.17 -178.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.548 HE21 ' N ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER 57.47 28.56 15.66 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.829 -0.623 . . . . 2.21 111.27 -175.128 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 36.2 m0 -90.34 156.42 18.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.122 0.487 . . . . 1.12 111.002 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -92.85 -174.97 41.25 Favored Glycine 0 N--CA 1.438 -1.229 0 C-N-CA 120.521 -0.847 . . . . 1.67 111.37 172.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.25 116.48 21.15 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 110.013 -0.366 . . . . 1.16 110.013 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 5.3 ptt? -164.35 158.5 18.72 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.073 -0.512 . . . . 1.47 110.696 -177.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.831 HG23 HG21 ' A' ' 19' ' ' ILE . 16.7 m -88.44 103.34 15.76 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.5 -0.773 . . . . 1.15 110.778 -176.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.3 tpp -108.55 149.73 28.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.679 -0.691 . . . . 2.01 111.022 -176.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -88.88 128.44 35.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.116 177.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -117.76 136.43 53.39 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.334 -0.393 . . . . 0.43 110.076 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -93.76 140.25 29.87 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.257 -0.429 . . . . 1.12 110.023 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.05 150.99 39.33 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 123.196 0.31 . . . . 1.22 110.99 -178.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.475 ' HD3' ' O ' ' A' ' 68' ' ' LEU . 33.1 Cg_endo -65.12 159.33 47.31 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.488 2.125 . . . . 1.49 111.231 175.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -57.84 -15.0 19.85 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.992 2.461 . . . . 2.4 112.456 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.29 -41.25 96.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.917 -0.583 . . . . 1.64 111.241 177.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.81 167.47 21.63 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.8 -0.714 . . . . 1.0 112.279 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -88.4 141.62 30.75 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 121.137 0.494 . . . . 1.53 112.091 -174.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.507 ' HD2' HD21 ' A' ' 48' ' ' LEU . 54.7 Cg_endo -82.52 -166.08 0.37 Allowed 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 123.327 2.685 . . . . 0.92 111.753 171.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.586 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 1.0 OUTLIER -111.39 164.26 13.12 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.33 -0.85 . . . . 2.23 109.893 178.711 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.03 21.99 34.17 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.173 -0.537 . . . . 0.67 112.036 -178.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.648 HD22 HG12 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -136.94 49.48 2.04 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.718 0.294 . . . . 1.65 111.774 -178.904 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.881 ' HA ' HD12 ' A' ' 13' ' ' ILE . 9.7 ptpp? -94.79 161.69 14.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.191 -0.318 . . . . 3.53 110.525 -172.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.3 106.2 0.08 Allowed 'General case' 0 C--O 1.235 0.334 0 O-C-N 123.625 0.578 . . . . 1.1 111.303 177.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.76 -26.27 5.69 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.831 -0.699 . . . . 0.38 112.551 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.445 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 24.9 m-20 -70.39 148.23 48.62 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 120.952 0.406 . . . . 0.53 110.788 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -112.12 95.86 5.7 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.307 -0.997 . . . . 3.72 108.307 174.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.542 HG11 ' HA ' ' A' ' 73' ' ' PRO . 10.5 m -102.58 150.28 6.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.068 -0.515 . . . . 1.11 111.062 -169.345 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.96 120.82 38.02 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.778 -0.647 . . . . 1.03 109.258 173.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.813 ' HB3' HG23 ' A' ' 71' ' ' VAL . 37.3 p90 -139.75 167.45 22.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.28 0.562 . . . . 0.43 112.046 -173.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.715 ' HA ' ' HA ' ' A' ' 5' ' ' ARG . 35.5 p -132.55 139.12 47.72 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.519 -0.764 . . . . 1.47 109.51 175.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -134.11 161.48 34.74 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.895 0.378 . . . . 0.5 110.546 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.486 ' HG3' HG23 ' A' ' 69' ' ' VAL . 83.6 mtt180 -116.57 139.33 50.62 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.245 -0.434 . . . . 3.57 110.417 177.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.4 mt -100.15 141.49 32.9 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.722 -0.672 . . . . 1.59 110.762 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.533 ' OD2' ' HB2' ' A' ' 65' ' ' MET . 4.2 p30 -102.18 164.4 15.83 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 115.93 -0.577 . . . . 1.87 109.763 172.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.98 -0.96 3.68 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.984 2.456 . . . . 1.81 113.216 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -95.96 -19.23 19.66 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.72 -0.844 . . . . 2.88 108.72 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.26 23.71 10.21 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 114.457 -1.247 . . . . 1.2 111.911 176.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.533 ' HB2' ' OD2' ' A' ' 61' ' ' ASP . 31.6 mtp -100.24 152.55 20.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.153 0.501 . . . . 3.17 110.037 -179.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.03 109.53 18.21 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.441 -0.799 . . . . 1.18 110.226 -172.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.17 120.28 41.9 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 116.052 -0.522 . . . . 1.4 110.558 -177.13 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.476 HD12 ' HB2' ' A' ' 56' ' ' PHE . 42.4 tp -71.63 134.65 46.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.792 -0.64 . . . . 1.82 110.347 -177.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.486 HG23 ' HG3' ' A' ' 59' ' ' ARG . 21.8 t -103.49 -56.93 4.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.342 -0.39 . . . . 1.61 110.477 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.5 p -143.0 142.6 31.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 1.12 110.567 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.813 HG23 ' HB3' ' A' ' 56' ' ' PHE . 8.7 p -132.59 142.27 42.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.374 -0.602 . . . . 1.09 109.374 176.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -130.97 139.52 35.85 Favored Pre-proline 0 C--N 1.316 -0.886 0 N-CA-C 109.856 -0.424 . . . . 1.07 109.856 176.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.542 ' HA ' HG11 ' A' ' 54' ' ' VAL . 26.2 Cg_endo -64.17 104.63 0.51 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.024 1.816 . . . . 1.22 112.145 -179.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.577 HE22 ' HB ' ' A' ' 7' ' ' VAL . 1.5 tt0 -93.82 170.05 9.85 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 108.746 -0.835 . . . . 1.45 108.746 175.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.574 ' O ' ' HG3' ' A' ' 76' ' ' GLN . 2.4 p -132.45 80.06 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 CA-C-O 121.824 0.821 . . . . 2.35 110.673 -177.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.574 ' HG3' ' O ' ' A' ' 75' ' ' VAL . 5.1 pp0? 60.76 -27.83 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.529 1.932 . . . . 2.92 115.629 173.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.4 t -143.87 -2.34 0.93 Allowed 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 120.972 0.415 . . . . 4.2 110.266 175.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 72.85 148.96 0.09 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.116 -0.947 . . . . 3.65 111.333 -177.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.81 -143.87 16.96 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.692 -0.766 . . . . 5.36 111.477 -178.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 58.88 -162.57 0.23 Allowed 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 122.478 0.311 . . . . 7.0 111.097 178.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 68.5 mttm -110.11 135.5 20.53 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 110.229 -0.286 . . . . 11.04 110.229 174.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 81' ' ' LYS . 26.5 Cg_exo . . . . . 0 C--O 1.248 1.001 0 C-N-CA 123.039 2.493 . . . . 11.77 111.701 176.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.532 0 N-CA-C 111.749 -0.541 . . . . 2.16 111.749 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -63.07 137.67 63.18 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.673 2.249 . . . . 1.39 112.287 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -90.79 132.78 35.66 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.788 -0.642 . . . . 1.13 110.158 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.451 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 87.9 m-70 -126.1 147.11 49.67 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.681 -0.489 . . . . 0.64 109.681 178.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.552 HH11 ' HB3' ' A' ' 57' ' ' SER . 26.1 mmt180 -81.05 141.31 34.48 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.764 -0.458 . . . . 2.93 109.764 177.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -144.14 137.46 27.49 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 120.918 0.39 . . . . 1.12 111.149 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.0 m -119.0 151.02 21.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.265 -0.425 . . . . 1.05 110.142 173.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.573 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 174.01 -168.05 40.73 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.673 -0.775 . . . . 0.28 112.418 178.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 9' ' ' ARG . 13.8 ttp180 -115.91 137.4 52.14 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.645 -0.502 . . . . 3.71 109.645 -178.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.52 HD13 HG23 ' A' ' 54' ' ' VAL . 37.2 mm -68.0 124.69 24.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 116.307 -0.406 . . . . 1.06 110.241 179.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.402 HE21 ' HB2' ' A' ' 11' ' ' GLN . 7.1 tp-100 -85.25 -49.43 8.19 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.858 -0.61 . . . . 1.15 109.492 178.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.2 m -159.5 160.7 34.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.567 -0.742 . . . . 1.05 110.347 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.576 HD13 ' HA ' ' A' ' 49' ' ' LYS . 61.0 mt -107.95 130.79 59.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.474 -0.565 . . . . 1.42 109.474 173.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.74 -164.4 24.24 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 121.14 -0.552 . . . . 1.06 112.515 -177.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -83.13 -37.93 23.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.923 0.392 . . . . 2.55 111.151 -175.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -134.87 11.9 3.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.383 0.611 . . . . 4.52 110.504 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.586 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 3.6 p -158.09 172.94 17.51 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.242 -0.89 . . . . 1.27 109.007 -177.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.551 HD22 HG21 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -136.61 136.06 38.87 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.92 -0.77 . . . . 1.62 108.92 170.304 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.526 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 31.4 mt -84.98 122.18 37.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 N-CA-C 109.071 -0.714 . . . . 1.26 109.071 177.103 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 60.1 mt -123.34 121.19 62.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.087 -0.506 . . . . 1.07 110.786 -174.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.43 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -73.52 91.8 1.84 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.351 -0.611 . . . . 1.1 109.351 170.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.573 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 23.1 p80 -89.9 157.5 17.85 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.079 -0.509 . . . . 0.38 110.705 -176.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.418 ' O ' HG12 ' A' ' 25' ' ' ILE . 12.8 mm-40 -61.88 -169.81 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.296 -0.866 . . . . 3.05 111.559 174.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.566 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -55.63 -48.16 75.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 1.5 111.343 -178.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.514 ' HB ' ' HB2' ' A' ' 30' ' ' TRP . 41.7 mm 76.9 86.74 0.08 OUTLIER Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 123.782 0.676 . . . . 1.26 110.599 -178.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -75.58 -18.96 17.11 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 122.588 2.192 . . . . 1.29 111.873 178.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.451 ' HB2' ' HB3' ' A' ' 4' ' ' HIS . 9.0 p -71.94 -22.93 61.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.856 -0.611 . . . . 1.43 111.266 -178.137 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.16 4.72 9.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.565 -0.289 . . . . 1.34 111.196 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 55.77 49.72 15.63 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.976 -0.557 . . . . 2.21 111.374 -177.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.514 ' HB2' ' HB ' ' A' ' 25' ' ' ILE . 45.1 m0 -100.06 172.13 7.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.684 -0.689 . . . . 1.12 109.309 174.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.29 46.8 1.06 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.261 -0.971 . . . . 1.67 112.942 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.566 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 65.17 120.15 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.209 0.528 . . . . 1.16 112.307 175.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.571 ' HE3' ' SD ' ' A' ' 35' ' ' MET . 19.1 ptt? -170.78 155.88 4.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.062 -0.517 . . . . 1.47 110.835 179.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.439 HG22 HG23 ' A' ' 19' ' ' ILE . 19.1 m -88.06 104.77 16.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.732 -0.667 . . . . 1.15 110.0 -177.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.571 ' SD ' ' HE3' ' A' ' 33' ' ' MET . 73.6 mtp -115.83 164.2 14.73 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.69 -0.686 . . . . 2.01 111.944 -175.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.526 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 44.8 tt0 -102.75 122.75 45.11 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.066 -0.97 . . . . 1.0 109.872 178.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -105.27 121.24 43.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.302 -0.408 . . . . 0.43 110.301 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.586 ' HA ' ' HB3' ' A' ' 17' ' ' SER . . . -70.69 142.73 51.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.81 -0.632 . . . . 1.12 110.577 -176.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.91 139.97 97.95 Favored Pre-proline 0 C--O 1.235 0.309 0 CA-C-N 116.275 -0.42 . . . . 1.22 111.552 -178.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.435 ' HD2' HD11 ' A' ' 44' ' ' LEU . 36.3 Cg_endo -67.47 160.09 49.48 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.501 2.134 . . . . 1.49 111.469 174.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.93 -3.62 8.62 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.777 2.318 . . . . 2.4 112.976 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -105.41 3.37 29.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.506 -0.315 . . . . 1.64 111.153 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.46 169.59 45.81 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.645 -0.788 . . . . 1.0 112.238 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.546 ' HG ' HD23 ' A' ' 18' ' ' LEU . 2.7 mm? -86.5 141.61 34.47 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-O 120.991 0.424 . . . . 1.53 111.033 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.423 ' HD2' HD21 ' A' ' 48' ' ' LEU . 44.1 Cg_endo -80.64 -169.15 0.73 Allowed 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 123.063 2.508 . . . . 0.92 111.435 169.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.532 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 0.8 OUTLIER -111.47 148.96 32.01 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.605 -0.725 . . . . 2.23 110.464 -177.877 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.08 21.43 10.96 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.943 -0.572 . . . . 0.67 112.275 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.627 HD22 HG13 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -127.61 49.41 2.13 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.767 0.318 . . . . 1.65 111.814 -177.854 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.576 ' HA ' HD13 ' A' ' 13' ' ' ILE . 66.7 mttt -95.29 161.52 14.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.977 0.418 . . . . 3.53 111.738 -177.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.97 110.47 0.36 Allowed 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 115.42 -0.809 . . . . 1.1 110.872 175.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.51 -14.34 20.43 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.53 -0.843 . . . . 0.38 112.708 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -84.61 148.2 26.58 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 117.16 0.48 . . . . 0.53 110.4 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.51 ' NH1' ' HB3' ' A' ' 76' ' ' GLN . 22.5 ttm105 -103.45 121.85 43.68 Favored 'General case' 0 N--CA 1.439 -1.017 0 N-CA-C 108.79 -0.819 . . . . 3.72 108.79 173.276 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.575 HG11 ' HA ' ' A' ' 73' ' ' PRO . 16.3 m -126.9 154.18 36.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.101 0.477 . . . . 1.11 111.613 -173.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.457 ' HB1' HE21 ' A' ' 74' ' ' GLN . . . -109.72 115.87 30.66 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.771 -0.825 . . . . 1.03 108.771 175.114 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.81 ' HB3' HG23 ' A' ' 71' ' ' VAL . 11.2 p90 -134.93 -177.94 4.86 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.419 0.526 . . . . 0.43 112.419 -168.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.552 ' HB3' HH11 ' A' ' 5' ' ' ARG . 86.6 p -143.99 153.96 42.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.642 -0.708 . . . . 1.47 109.806 175.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.447 ' HA ' HG23 ' A' ' 69' ' ' VAL . 54.1 p90 -141.1 154.35 45.88 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.431 -0.349 . . . . 0.5 110.854 -178.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.495 ' HG3' ' CG2' ' A' ' 69' ' ' VAL . 47.5 mtm180 -106.05 138.15 42.73 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.393 -0.595 . . . . 3.57 109.393 172.196 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.424 HD12 ' CZ2' ' A' ' 30' ' ' TRP . 14.8 mt -108.33 122.48 47.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.942 0.401 . . . . 1.59 111.906 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.459 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 33.8 m-20 -83.95 166.78 31.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 108.731 -0.841 . . . . 1.87 108.731 172.009 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.459 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 16.3 Cg_exo -68.12 -8.94 24.24 Favored 'Trans proline' 0 N--CA 1.464 -0.213 0 C-N-CA 122.77 2.313 . . . . 1.81 112.493 -174.481 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -90.52 -11.16 41.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.143 -0.48 . . . . 2.88 110.825 179.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.22 24.68 21.43 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.818 -0.706 . . . . 1.2 111.467 -176.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.871 ' HE1' ' HA ' ' A' ' 65' ' ' MET . 8.6 mmt -84.54 131.42 34.63 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 109.637 -0.505 . . . . 3.17 109.637 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -113.9 103.86 11.59 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.727 -0.472 . . . . 1.18 109.727 -174.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.86 126.96 52.47 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 116.122 -0.49 . . . . 1.4 110.138 -176.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.5 tp -70.09 124.7 24.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.585 -0.734 . . . . 1.82 110.472 -176.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.495 ' CG2' ' HG3' ' A' ' 59' ' ' ARG . 22.0 t -96.45 -55.41 6.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.179 0.514 . . . . 1.61 110.332 -178.003 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.2 p -142.11 158.93 43.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.507 -0.77 . . . . 1.12 109.388 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.81 HG23 ' HB3' ' A' ' 56' ' ' PHE . 9.8 p -156.52 129.52 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.136 0.493 . . . . 1.09 110.155 176.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -125.94 130.71 23.93 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.18 -0.464 . . . . 1.07 110.229 178.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.575 ' HA ' HG11 ' A' ' 54' ' ' VAL . 50.4 Cg_exo -53.77 122.6 11.62 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.74 2.293 . . . . 1.22 111.635 176.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.711 ' HG3' ' H ' ' A' ' 76' ' ' GLN . 0.4 OUTLIER -112.86 176.54 4.97 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.418 -0.586 . . . . 1.45 109.418 -179.292 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.486 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 24.5 m -130.09 30.71 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 CA-C-N 115.948 -0.569 . . . . 2.35 111.024 -175.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.711 ' H ' ' HG3' ' A' ' 74' ' ' GLN . 9.4 pt20 54.81 152.88 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.634 1.174 . . . . 2.92 112.784 -172.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.8 m 51.8 27.32 4.1 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.267 -0.879 . . . . 4.2 111.887 174.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.8 -30.41 26.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.221 -0.445 . . . . 3.65 111.256 -176.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.14 -61.58 4.57 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.759 -0.734 . . . . 5.36 112.02 -178.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -162.05 176.88 10.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.748 0.309 . . . . 7.0 110.268 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -102.82 107.8 55.97 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.159 -0.473 . . . . 11.04 109.898 176.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo . . . . . 0 C--O 1.249 1.073 0 C-N-CA 123.047 2.498 . . . . 11.77 112.036 178.247 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.678 ' HA3' ' O ' ' A' ' 60' ' ' LEU . . . . . . . . 0 N--CA 1.483 1.829 0 N-CA-C 112.054 -0.418 . . . . 2.16 112.054 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.85 150.0 48.75 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.776 2.318 . . . . 1.39 112.569 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -85.43 133.85 34.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.975 -0.557 . . . . 1.13 110.802 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.431 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 59.5 m-70 -127.67 142.74 51.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.214 -1.032 . . . . 0.64 108.214 174.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.444 ' HG2' ' HB3' ' A' ' 57' ' ' SER . 51.2 mtt180 -95.14 147.62 23.25 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.677 -0.409 . . . . 2.93 110.94 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -152.92 145.93 24.57 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.895 -0.593 . . . . 1.12 111.139 -179.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.6 m -114.56 149.42 16.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 115.533 -0.758 . . . . 1.05 109.929 172.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -172.53 -178.7 42.84 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.091 -1.052 . . . . 0.28 112.776 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -112.28 130.41 55.95 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.69 -0.485 . . . . 3.71 109.69 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.508 HD13 ' CG2' ' A' ' 54' ' ' VAL . 31.5 mm -65.92 136.95 25.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.237 -0.438 . . . . 1.06 111.679 -175.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.707 HE21 ' HB1' ' A' ' 21' ' ' ALA . 84.5 mm-40 -97.8 -48.82 5.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.033 -0.531 . . . . 1.15 110.11 175.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.8 m -161.76 146.26 12.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.906 -0.588 . . . . 1.05 110.442 -178.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.497 HD11 ' HA ' ' A' ' 49' ' ' LYS . 64.0 mt -98.07 143.29 13.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.488 -0.324 . . . . 1.42 110.569 176.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.585 ' H ' ' HB3' ' A' ' 18' ' ' LEU . . . -129.63 169.52 20.77 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.837 -0.619 . . . . 1.06 111.651 176.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -65.21 -44.7 87.48 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.284 0.475 . . . . 2.55 112.284 -175.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.458 ' HD3' ' H ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -120.26 -9.75 9.47 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.946 0.403 . . . . 4.52 110.986 -176.767 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.415 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 12.8 p -157.32 152.3 25.82 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.928 -0.578 . . . . 1.27 109.725 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.585 ' HB3' ' H ' ' A' ' 14' ' ' GLY . 0.4 OUTLIER -145.76 150.05 35.51 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 120.982 0.42 . . . . 1.62 111.633 -176.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.572 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 61.2 mt -93.78 125.54 46.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.609 -0.723 . . . . 1.26 111.24 -173.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 71.9 mt -126.17 128.09 71.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.829 -0.623 . . . . 1.07 110.358 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.707 ' HB1' HE21 ' A' ' 11' ' ' GLN . . . -80.33 90.64 5.58 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.08 -0.711 . . . . 1.1 109.08 174.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -86.23 153.01 22.32 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.449 -0.796 . . . . 0.38 110.141 -178.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -70.13 -164.97 0.08 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.907 -0.588 . . . . 3.05 110.545 176.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.539 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -52.22 -56.29 15.65 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.531 0.567 . . . . 1.5 112.531 -174.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 24.9 mt 74.01 92.45 0.05 OUTLIER Pre-proline 0 C--N 1.322 -0.63 0 O-C-N 123.797 0.686 . . . . 1.26 110.93 -176.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -71.42 -17.8 30.21 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.384 2.056 . . . . 1.29 111.922 178.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.431 ' CB ' ' HB3' ' A' ' 4' ' ' HIS . 20.4 m -75.54 -23.3 56.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.778 -0.646 . . . . 1.43 111.718 -177.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -114.22 -2.68 13.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.422 -0.353 . . . . 1.34 110.868 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 61.88 37.17 15.49 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.584 -0.734 . . . . 2.21 110.775 -178.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 45.7 m0 -95.63 172.85 7.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.077 -0.51 . . . . 1.12 110.155 177.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -125.15 32.94 3.81 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.598 -0.81 . . . . 1.67 112.614 -177.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.539 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 73.86 123.61 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.44 0.696 . . . . 1.16 111.474 -178.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -169.69 151.71 4.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.013 -0.54 . . . . 1.47 110.649 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.553 HG22 ' HG3' ' A' ' 11' ' ' GLN . 79.7 m -80.49 104.97 11.39 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.56 -0.745 . . . . 1.15 110.557 -179.206 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.4 tpp -130.47 158.26 40.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.129 -0.487 . . . . 2.01 110.597 -177.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.572 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 36.7 tt0 -96.84 140.82 30.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.487 -178.15 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.5 ' HB3' ' HB2' ' A' ' 68' ' ' LEU . 94.9 m-85 -114.77 148.19 38.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.033 -0.531 . . . . 0.43 110.075 179.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.05 135.09 35.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.283 -0.417 . . . . 1.12 110.68 -175.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.38 143.74 76.82 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.131 -0.486 . . . . 1.22 111.615 -177.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -81.02 168.4 17.24 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 122.787 2.324 . . . . 1.49 111.422 175.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -61.42 -11.79 21.23 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.806 2.337 . . . . 2.4 112.438 178.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.87 -19.85 59.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.004 -0.544 . . . . 1.64 111.141 178.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.99 174.63 49.13 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 120.856 -0.688 . . . . 1.0 111.777 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.441 ' HG ' HD21 ' A' ' 18' ' ' LEU . 2.3 mm? -98.17 134.34 22.14 Favored Pre-proline 0 C--N 1.318 -0.798 0 CA-C-O 120.744 0.307 . . . . 1.53 110.739 179.33 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.43 ' HD2' HD23 ' A' ' 48' ' ' LEU . 43.5 Cg_endo -77.91 -167.27 0.47 Allowed 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 122.952 2.434 . . . . 0.92 111.662 173.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.573 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -116.74 156.63 26.84 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.709 -0.678 . . . . 2.23 109.693 178.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.41 20.27 18.13 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.006 -0.616 . . . . 0.67 111.576 -177.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.602 ' HB3' HG12 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -139.97 45.09 1.9 Allowed 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 111.982 0.364 . . . . 1.65 111.982 -176.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.538 ' HB3' ' HZ2' ' A' ' 49' ' ' LYS . 0.2 OUTLIER -96.14 171.33 8.67 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.809 -0.357 . . . . 3.53 110.668 -177.577 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.22 113.69 0.47 Allowed 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.795 0.685 . . . . 1.1 112.229 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.32 -17.3 26.49 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.865 -0.683 . . . . 0.38 113.35 177.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -82.87 153.29 25.2 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 117.379 0.59 . . . . 0.53 110.769 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 46.2 ttt-85 -105.35 123.35 47.71 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 108.74 -0.837 . . . . 3.72 108.74 172.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.602 HG12 ' HB3' ' A' ' 48' ' ' LEU . 7.6 m -124.23 154.03 30.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 120.963 0.411 . . . . 1.11 111.306 -177.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.85 115.68 30.26 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.987 -0.745 . . . . 1.03 108.987 177.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.63 ' HB3' HG21 ' A' ' 71' ' ' VAL . 42.3 p90 -134.95 165.08 26.16 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.784 0.661 . . . . 0.43 112.784 -170.092 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.444 ' HB3' ' HG2' ' A' ' 5' ' ' ARG . 87.9 p -127.26 135.66 50.91 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.082 -0.963 . . . . 1.47 109.256 174.1 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -135.99 152.54 51.04 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.332 -0.394 . . . . 0.5 110.33 -178.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -104.36 143.08 33.47 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.645 -0.502 . . . . 3.57 109.645 177.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.678 ' O ' ' HA3' ' A' ' 1' ' ' GLY . 7.9 mt -117.37 125.41 50.96 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.998 -0.546 . . . . 1.59 111.295 -176.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.523 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 28.4 m-20 -93.15 163.96 23.24 Favored Pre-proline 0 C--N 1.317 -0.836 0 N-CA-C 109.362 -0.607 . . . . 1.87 109.362 174.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.41 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 24.7 Cg_exo -64.09 -16.74 56.63 Favored 'Trans proline' 0 CA--C 1.528 0.197 0 C-N-CA 123.221 2.614 . . . . 1.81 113.245 -173.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -80.87 -12.23 59.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.919 0.39 . . . . 2.88 110.786 176.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.66 31.0 8.53 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 110.962 -0.855 . . . . 1.2 110.962 -174.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.523 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 22.6 mmt -85.13 110.75 19.2 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.831 -0.433 . . . . 3.17 109.831 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.18 98.43 11.29 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.526 -0.761 . . . . 1.18 109.559 -176.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.05 106.64 17.23 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.509 -0.769 . . . . 1.4 110.777 -173.117 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.5 ' HB2' ' HB3' ' A' ' 37' ' ' PHE . 2.9 tm? -68.21 128.04 35.12 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.417 -0.811 . . . . 1.82 109.27 -179.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.4 t -99.67 -57.07 4.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.169 0.509 . . . . 1.61 110.368 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.2 p -145.21 143.74 30.45 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.514 -0.766 . . . . 1.12 110.344 -177.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.63 HG21 ' HB3' ' A' ' 56' ' ' PHE . 7.7 p -138.4 128.0 33.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.115 0.483 . . . . 1.09 109.931 178.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.21 124.61 34.12 Favored Pre-proline 0 C--N 1.318 -0.764 0 CA-C-N 116.128 -0.487 . . . . 1.07 110.011 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.455 ' HA ' HG11 ' A' ' 54' ' ' VAL . 40.2 Cg_exo -57.52 109.43 0.47 Allowed 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.362 2.041 . . . . 1.22 111.053 175.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.418 ' HG2' ' HA ' ' A' ' 54' ' ' VAL . 17.4 pt20 -109.28 179.48 4.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.56 -0.745 . . . . 1.45 109.657 -178.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.575 ' O ' ' HG3' ' A' ' 76' ' ' GLN . 6.1 m -135.95 97.46 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 CA-C-N 115.736 -0.665 . . . . 2.35 109.474 -173.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.575 ' HG3' ' O ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER 47.9 -138.06 0.79 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.875 -0.602 . . . . 2.92 110.047 -174.497 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.422 ' H ' ' NE2' ' A' ' 76' ' ' GLN . 64.8 p -76.34 -12.02 60.0 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 118.6 0.636 . . . . 4.2 111.498 -179.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 63.59 -74.42 0.04 OUTLIER 'General case' 0 C--O 1.236 0.377 0 O-C-N 124.113 0.883 . . . . 3.65 112.036 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 126.48 -81.29 0.36 Allowed Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.954 -0.858 . . . . 5.36 110.954 -176.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.16 136.26 33.12 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.627 -0.508 . . . . 7.0 109.627 174.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.414 ' N ' ' HD3' ' A' ' 81' ' ' LYS . 3.7 mppt? -105.4 108.38 61.3 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 110.091 -0.337 . . . . 11.04 110.091 -177.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo . . . . . 0 N--CA 1.447 -1.215 0 C-N-CA 123.339 2.693 . . . . 11.77 112.08 179.89 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 111.344 -0.702 . . . . 2.16 111.344 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.494 ' HD2' ' O ' ' A' ' 60' ' ' LEU . 42.3 Cg_endo -64.24 117.67 4.68 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.882 2.388 . . . . 1.39 112.118 -178.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -89.51 114.85 26.44 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.264 -0.88 . . . . 1.13 110.102 -178.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -118.43 145.88 44.88 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.424 -0.584 . . . . 0.64 109.424 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.401 ' HA ' ' HA ' ' A' ' 57' ' ' SER . 38.1 mtt180 -89.07 151.14 22.41 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.907 0.385 . . . . 2.93 110.93 177.196 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.458 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . . . -151.81 149.49 29.08 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.893 -0.594 . . . . 1.12 110.278 179.061 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.0 m -119.54 148.55 22.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 116.325 -0.398 . . . . 1.05 110.106 176.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.469 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -174.51 -166.44 32.48 Favored Glycine 0 N--CA 1.442 -0.935 0 C-N-CA 120.484 -0.865 . . . . 0.28 112.222 178.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -124.17 135.14 53.26 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.858 -0.793 . . . . 3.71 108.858 -178.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.622 HD13 HG21 ' A' ' 54' ' ' VAL . 47.4 mm -67.04 129.57 31.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 120.816 0.341 . . . . 1.06 110.947 -173.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -90.03 -54.31 4.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.573 -0.74 . . . . 1.15 109.677 -178.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.6 m -162.67 147.34 11.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 1.05 110.32 177.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.696 HD12 ' HA ' ' A' ' 49' ' ' LYS . 80.9 mt -95.25 141.93 14.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.425 -0.352 . . . . 1.42 110.356 178.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -109.62 -142.6 9.64 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 111.541 -0.624 . . . . 1.06 111.541 175.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -122.91 -22.67 5.2 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.969 0.414 . . . . 2.55 110.72 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.405 ' C ' ' HG ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -136.1 -7.58 2.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.213 -0.449 . . . . 4.52 110.396 178.859 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.537 ' CB ' ' HA ' ' A' ' 38' ' ' ALA . 13.5 m -155.3 177.38 11.42 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.988 -1.116 . . . . 1.27 107.988 173.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.478 ' HB3' ' HA ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -159.57 152.09 21.3 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.99 0.424 . . . . 1.62 110.806 176.866 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.492 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 14.5 mt -95.91 133.4 37.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.784 -0.643 . . . . 1.26 110.123 -174.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 79.0 mt -131.31 124.6 55.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.101 -0.5 . . . . 1.07 110.658 -178.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.628 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -72.15 91.35 1.27 Allowed 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.279 -0.637 . . . . 1.1 109.279 170.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.469 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 29.9 p80 -91.18 154.35 19.38 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.148 -0.478 . . . . 0.38 111.241 -175.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -67.64 -171.24 0.18 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.152 -0.931 . . . . 3.05 110.939 174.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.73 -31.6 72.9 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.217 0.451 . . . . 1.5 112.217 -176.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 57.7 mt 67.3 95.31 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 121.124 0.488 . . . . 1.26 111.158 178.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -70.45 -14.72 34.19 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.417 2.078 . . . . 1.29 112.226 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 43.8 m -83.41 -11.62 57.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.727 -0.669 . . . . 1.43 111.384 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.21 -9.64 7.58 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.84 -0.344 . . . . 1.34 111.806 -178.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 60.69 40.6 16.13 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.316 0.579 . . . . 2.21 110.091 -175.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 32.7 m0 -101.52 176.17 5.32 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.325 -0.852 . . . . 1.12 111.348 -177.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -102.99 168.16 17.79 Favored Glycine 0 N--CA 1.438 -1.204 0 CA-C-N 115.137 -0.938 . . . . 1.67 111.375 172.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.17 114.07 17.81 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.737 -0.468 . . . . 1.16 109.737 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -158.37 147.91 19.51 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.077 -0.51 . . . . 1.47 111.274 -174.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.628 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 20.3 m -76.26 106.53 7.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.367 -0.833 . . . . 1.15 110.436 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 63.4 mtp -122.31 165.18 16.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.066 -0.516 . . . . 2.01 111.569 -178.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.492 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 40.0 tt0 -97.75 136.81 37.57 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.24 -0.891 . . . . 1.0 110.464 -179.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.422 ' HB3' ' HB2' ' A' ' 68' ' ' LEU . 97.0 m-85 -119.63 118.4 30.87 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.973 -0.558 . . . . 0.43 110.175 176.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.546 ' HB2' HG22 ' A' ' 67' ' ' THR . . . -67.78 137.01 55.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.481 -0.782 . . . . 1.12 110.384 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . . . -81.48 146.66 57.86 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.489 -0.323 . . . . 1.22 110.819 -177.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 39' ' ' ALA . 22.5 Cg_exo -64.89 150.53 88.0 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 122.345 2.03 . . . . 1.49 110.841 174.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -56.54 -16.41 18.64 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.869 2.379 . . . . 2.4 112.373 178.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.86 -30.69 70.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 1.64 111.14 176.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 109.23 -179.42 20.98 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.91 -0.662 . . . . 1.0 112.091 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -99.47 146.31 31.57 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-O 120.776 0.322 . . . . 1.53 111.535 -178.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.695 ' HD2' HD22 ' A' ' 48' ' ' LEU . 61.3 Cg_endo -85.73 -164.26 0.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 123.368 2.712 . . . . 0.92 111.769 170.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.571 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -117.04 150.47 38.59 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.47 -0.787 . . . . 2.23 110.291 -179.252 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.93 17.02 19.93 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.918 -0.583 . . . . 0.67 112.088 178.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.807 HD23 HG11 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -127.67 49.27 2.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.645 0.26 . . . . 1.65 111.549 -177.656 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.696 ' HA ' HD12 ' A' ' 13' ' ' ILE . 5.1 ptpp? -95.36 167.31 11.42 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.711 -0.396 . . . . 3.53 110.282 -174.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.02 110.53 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.819 -0.628 . . . . 1.1 111.182 178.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.93 -23.56 9.94 Favored Glycine 0 N--CA 1.441 -1.006 0 C-N-CA 120.741 -0.743 . . . . 0.38 112.686 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.433 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 12.4 m-20 -71.09 146.64 49.13 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.38 0.61 . . . . 0.53 110.592 -179.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.06 119.29 38.58 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 107.959 -1.126 . . . . 3.72 107.959 175.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.664 ' HA ' ' H ' ' A' ' 74' ' ' GLN . 15.4 m -128.93 156.43 41.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.159 0.504 . . . . 1.11 111.647 -172.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -115.83 121.22 41.76 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.601 -0.888 . . . . 1.03 108.601 174.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.78 ' HB3' HG21 ' A' ' 71' ' ' VAL . 33.7 p90 -134.58 173.02 12.12 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.339 0.59 . . . . 0.43 112.316 -169.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 5' ' ' ARG . 20.6 p -134.1 141.25 47.08 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.456 -0.793 . . . . 1.47 109.584 175.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.434 ' HA ' HG21 ' A' ' 69' ' ' VAL . 40.5 p90 -138.95 164.3 30.08 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.187 -0.301 . . . . 0.5 110.187 -178.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.465 ' HG3' ' CG2' ' A' ' 69' ' ' VAL . 21.4 mtm180 -117.15 140.94 48.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.814 0.34 . . . . 3.57 110.316 177.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.494 ' O ' ' HD2' ' A' ' 2' ' ' PRO . 15.6 mt -90.06 122.88 33.45 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.725 -0.67 . . . . 1.59 109.975 173.172 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.431 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 28.3 m-20 -86.32 166.42 28.33 Favored Pre-proline 0 C--N 1.316 -0.861 0 N-CA-C 109.23 -0.656 . . . . 1.87 109.23 177.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.431 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 15.7 Cg_exo -69.29 1.21 4.32 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 123.008 2.472 . . . . 1.81 113.241 -173.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.9 m170 -104.44 -6.84 20.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.368 0.604 . . . . 2.88 110.265 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.6 27.95 15.82 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.155 -0.93 . . . . 1.2 111.342 -178.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 95.7 mmm -99.57 153.42 19.06 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.56 -0.32 . . . . 3.17 110.29 -178.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.72 98.28 6.43 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.467 0.651 . . . . 1.18 109.561 -173.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.546 HG22 ' HB2' ' A' ' 38' ' ' ALA . 4.0 m -105.77 126.59 52.34 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.488 -0.778 . . . . 1.4 110.117 -176.203 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.459 HD11 ' HB2' ' A' ' 56' ' ' PHE . 36.8 tp -71.76 145.24 48.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.623 -0.717 . . . . 1.82 110.969 -173.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.465 ' CG2' ' HG3' ' A' ' 59' ' ' ARG . 46.7 t -106.88 -63.96 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.984 -0.553 . . . . 1.61 109.704 176.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.9 p -143.64 153.13 42.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.185 -0.461 . . . . 1.12 110.596 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.807 HG11 HD23 ' A' ' 48' ' ' LEU . 10.4 p -136.28 140.83 42.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.464 -0.569 . . . . 1.09 109.464 177.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -130.83 141.75 43.08 Favored Pre-proline 0 C--N 1.319 -0.718 0 N-CA-C 109.989 -0.375 . . . . 1.07 109.989 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -61.42 110.53 0.93 Allowed 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.545 2.163 . . . . 1.22 112.55 -178.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.664 ' H ' ' HA ' ' A' ' 54' ' ' VAL . 1.6 tt0 -77.31 174.06 11.21 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 115.537 -0.756 . . . . 1.45 109.225 174.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.8 m -143.31 73.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 112.914 0.709 . . . . 2.35 112.914 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.444 ' HG3' ' N ' ' A' ' 77' ' ' THR . 6.0 pt20 -122.55 -35.73 3.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.958 0.885 . . . . 2.92 109.829 166.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.444 ' N ' ' HG3' ' A' ' 76' ' ' GLN . 0.2 OUTLIER -136.79 20.51 3.06 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.492 -1.231 . . . . 4.2 109.364 177.635 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.95 164.42 11.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.494 -0.776 . . . . 3.65 110.156 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.17 100.93 0.9 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.944 -0.646 . . . . 5.36 112.716 -177.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -171.46 18.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 7.0 111.171 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 38.1 ttmt -103.6 121.04 49.69 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 120.788 0.327 . . . . 11.04 110.316 178.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 81' ' ' LYS . 1.8 Cg_endo . . . . . 0 C--O 1.249 1.072 0 C-N-CA 123.171 2.581 . . . . 11.77 111.413 175.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.599 ' HA3' ' O ' ' A' ' 60' ' ' LEU . . . . . . . . 0 N--CA 1.484 1.855 0 CA-C-O 119.917 -0.38 . . . . 2.16 112.265 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -61.03 138.63 79.75 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 123.034 2.489 . . . . 1.39 112.616 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -89.31 136.72 32.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.728 -0.669 . . . . 1.13 110.718 -178.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.42 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 90.4 m-70 -130.48 154.93 47.26 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.536 -0.542 . . . . 0.64 109.536 177.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.607 ' HD3' ' HB3' ' A' ' 57' ' ' SER . 26.5 mmt180 -91.51 146.89 23.42 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.701 -0.111 . . . . 2.93 110.701 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -157.03 134.15 10.39 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.32 0.581 . . . . 1.12 112.029 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.432 ' HB ' HE22 ' A' ' 74' ' ' GLN . 18.6 m -120.47 148.54 23.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.706 -0.679 . . . . 1.05 109.572 174.162 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.792 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 177.92 -171.73 44.27 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.06 -1.067 . . . . 0.28 113.042 -179.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.478 ' HA ' ' HA ' ' A' ' 53' ' ' ARG . 40.7 ttp-105 -111.84 134.01 53.68 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.792 0.329 . . . . 3.71 110.427 -177.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.446 HD12 ' CG2' ' A' ' 54' ' ' VAL . 29.2 mm -72.66 134.18 30.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.985 -0.552 . . . . 1.06 111.014 -176.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.556 HE21 ' HB2' ' A' ' 21' ' ' ALA . 84.1 mm-40 -91.15 -53.23 4.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.5 -0.318 . . . . 1.15 110.463 176.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.538 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 67.2 m -165.4 131.66 2.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.43 . . . . 1.05 109.885 -178.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.873 ' HA ' ' HB3' ' A' ' 18' ' ' LEU . 66.5 mt -95.11 124.55 47.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.144 0.497 . . . . 1.42 110.824 177.132 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -96.86 -159.72 31.64 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.24 -0.891 . . . . 1.06 111.571 178.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -79.74 -40.67 28.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.106 0.479 . . . . 2.55 110.311 -178.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -138.68 9.08 2.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.875 -0.602 . . . . 4.52 111.662 -178.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.0 p -155.74 146.7 22.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.263 -0.426 . . . . 1.27 110.515 177.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.873 ' HB3' ' HA ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -142.3 145.2 33.73 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.964 0.412 . . . . 1.62 110.902 179.492 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.691 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 12.3 mt -91.28 128.52 42.99 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.044 0 N-CA-C 109.124 -0.695 . . . . 1.26 109.124 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 57.8 mt -128.11 124.81 63.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-O 120.925 0.393 . . . . 1.07 110.614 -178.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.556 ' HB2' HE21 ' A' ' 11' ' ' GLN . . . -84.18 89.61 7.35 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.759 -0.83 . . . . 1.1 108.759 173.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.792 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 28.2 p80 -90.44 153.66 20.23 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.653 -0.703 . . . . 0.38 110.798 -176.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -68.77 -166.24 0.07 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.313 -0.858 . . . . 3.05 110.828 176.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.504 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -52.06 -50.91 60.58 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.271 0.841 . . . . 1.5 113.271 -172.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.505 HG21 ' O ' ' A' ' 5' ' ' ARG . 24.6 mt 75.48 91.76 0.05 OUTLIER Pre-proline 0 C--N 1.321 -0.64 0 O-C-N 123.59 0.556 . . . . 1.26 110.583 -174.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -76.33 -0.49 10.44 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.354 2.036 . . . . 1.29 112.114 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.42 ' HB2' ' HB3' ' A' ' 4' ' ' HIS . 15.6 m -88.2 -20.89 24.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.919 -0.582 . . . . 1.43 110.747 177.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.66 -2.2 8.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.545 -0.298 . . . . 1.34 111.696 -176.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 66.1 25.51 10.79 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.512 0.507 . . . . 2.21 111.316 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 49.2 m0 -83.85 172.19 12.38 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.785 -0.45 . . . . 1.12 109.785 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.42 44.58 1.22 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.681 -0.771 . . . . 1.67 113.11 -176.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.504 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 70.65 125.21 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.128 0.571 . . . . 1.16 111.699 177.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 22.4 ptp -168.13 145.47 4.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.984 -0.553 . . . . 1.47 110.878 -176.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.535 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 23.9 m -85.57 106.09 16.63 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.498 -0.774 . . . . 1.15 109.674 178.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.412 ' HE3' ' HB2' ' A' ' 35' ' ' MET . 29.4 ttm -129.91 149.29 51.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.353 -0.385 . . . . 2.01 111.087 -175.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.691 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 44.2 tt0 -85.43 135.51 33.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.208 178.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -114.72 142.16 46.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.012 -0.54 . . . . 0.43 110.079 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.55 ' HB3' HG22 ' A' ' 67' ' ' THR . . . -84.01 132.55 34.73 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.198 -0.455 . . . . 1.12 109.971 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.6 147.57 33.43 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 116.037 -0.529 . . . . 1.22 111.035 -177.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -62.09 148.9 92.3 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.609 2.206 . . . . 1.49 111.3 172.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -57.66 -15.88 22.44 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.263 2.642 . . . . 2.4 113.243 -178.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.55 -25.11 63.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.45 -0.341 . . . . 1.64 111.14 177.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.96 170.77 38.49 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.96 -0.638 . . . . 1.0 112.449 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.454 HD21 ' N ' ' A' ' 44' ' ' LEU . 2.1 mm? -97.39 152.94 38.51 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 110.155 -0.313 . . . . 1.53 110.155 -178.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.444 ' HD2' HD13 ' A' ' 48' ' ' LEU . 1.7 Cg_endo -82.23 -165.95 0.36 Allowed 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 122.909 2.406 . . . . 0.92 111.115 171.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.54 176.0 5.31 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.468 -0.567 . . . . 2.23 109.468 175.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.8 6.25 85.54 Favored Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.336 -0.935 . . . . 0.67 110.928 -176.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.671 HD23 HG13 ' A' ' 71' ' ' VAL . 1.5 pp -147.4 40.26 1.02 Allowed 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 114.679 -0.76 . . . . 1.65 110.01 -178.001 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -96.94 -175.51 3.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.545 -0.752 . . . . 3.53 111.38 -171.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.538 ' HB1' ' HA ' ' A' ' 12' ' ' SER . . . -48.17 113.04 0.66 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.31 -0.405 . . . . 1.1 111.952 179.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.61 -23.82 11.73 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.143 -0.551 . . . . 0.38 112.152 -178.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -77.46 148.75 35.23 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 121.091 0.472 . . . . 0.53 111.039 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.785 ' HD3' ' HA ' ' A' ' 76' ' ' GLN . 76.7 ttt180 -111.95 114.48 27.41 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.643 -0.873 . . . . 3.72 108.643 173.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.672 HG13 ' HA ' ' A' ' 73' ' ' PRO . 11.8 m -125.76 167.65 19.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.253 -0.43 . . . . 1.11 111.654 -169.268 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.4 ' HA ' HG11 ' A' ' 7' ' ' VAL . . . -114.45 123.9 50.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.658 -0.701 . . . . 1.03 109.812 177.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.639 ' HB3' HG23 ' A' ' 71' ' ' VAL . 20.5 p90 -141.74 -176.53 4.8 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.298 0.57 . . . . 0.43 111.517 -174.101 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.607 ' HB3' ' HD3' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -133.98 -178.22 4.93 Favored 'General case' 0 N--CA 1.438 -1.058 0 N-CA-C 108.484 -0.932 . . . . 1.47 108.484 168.757 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -166.21 162.32 17.42 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 110.141 -0.318 . . . . 0.5 110.141 178.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -119.82 137.74 53.8 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.231 -0.44 . . . . 3.57 110.13 177.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.599 ' O ' ' HA3' ' A' ' 1' ' ' GLY . 17.9 mt -95.87 125.12 40.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.858 -0.61 . . . . 1.59 110.736 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.729 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 5.6 m-20 -89.44 166.39 21.51 Favored Pre-proline 0 C--N 1.32 -0.681 0 N-CA-C 109.28 -0.637 . . . . 1.87 109.28 175.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.474 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 17.7 Cg_exo -67.13 -2.73 8.52 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 123.265 2.643 . . . . 1.81 113.459 -172.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -102.08 1.46 36.37 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.063 0.459 . . . . 2.88 110.7 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.45 24.21 44.17 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 110.842 -0.903 . . . . 1.2 110.842 -175.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.729 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 91.4 mmm -81.45 132.58 35.33 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 115.27 -0.465 . . . . 3.17 110.247 -177.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.76 98.27 7.98 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 109.008 -0.738 . . . . 1.18 109.008 -177.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.55 HG22 ' HB3' ' A' ' 38' ' ' ALA . 1.2 m -105.66 119.81 40.08 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 115.907 -0.588 . . . . 1.4 110.658 -174.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.9 tp -67.46 141.44 56.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.321 -0.854 . . . . 1.82 109.882 -177.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.75 HG23 ' H ' ' A' ' 70' ' ' THR . 9.1 m -109.57 -64.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.752 0.311 . . . . 1.61 111.337 -178.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.75 ' H ' HG23 ' A' ' 69' ' ' VAL . 31.7 p -142.69 142.86 32.1 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.037 -0.727 . . . . 1.12 109.037 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.671 HG13 HD23 ' A' ' 48' ' ' LEU . 10.7 p -136.19 138.55 46.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.022 0.439 . . . . 1.09 110.705 178.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -127.7 142.33 43.86 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.628 -0.714 . . . . 1.07 109.933 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.672 ' HA ' HG13 ' A' ' 54' ' ' VAL . 30.0 Cg_endo -64.0 127.38 19.27 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.477 2.118 . . . . 1.22 111.902 179.246 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.432 HE22 ' HB ' ' A' ' 7' ' ' VAL . 9.3 pt20 -129.14 178.25 6.56 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.403 -0.592 . . . . 1.45 109.403 178.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.8 m -130.23 100.33 4.98 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 N-CA-C 108.898 -0.779 . . . . 2.35 108.898 -177.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.785 ' HA ' ' HD3' ' A' ' 53' ' ' ARG . 14.9 pt20 47.21 -110.23 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.806 -1.088 . . . . 2.92 112.352 -176.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.585 ' H ' ' HG3' ' A' ' 76' ' ' GLN . 30.8 m -96.6 91.24 5.65 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-O 121.618 0.723 . . . . 4.2 110.797 178.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.28 -26.61 32.98 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.225 -0.898 . . . . 3.65 110.533 175.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -160.69 -111.0 0.27 Allowed Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 111.439 -0.664 . . . . 5.36 111.439 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 70.77 -58.18 0.57 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.566 0.746 . . . . 7.0 112.34 176.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.561 ' HZ2' ' HB3' ' A' ' 81' ' ' LYS . 10.7 mtpm? -103.49 108.79 60.41 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-O 120.749 0.309 . . . . 11.04 111.355 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo . . . . . 0 C--O 1.251 1.158 0 C-N-CA 122.998 2.465 . . . . 11.77 111.08 174.199 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.421 ' HD2' ' O ' ' A' ' 60' ' ' LEU . 33.5 Cg_endo . . . . . 0 C--O 1.234 0.324 0 CA-C-O 120.961 0.317 . . . . 0.95 112.485 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -96.28 133.13 41.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.924 -0.58 . . . . 1.13 110.007 -178.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -127.14 156.9 41.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.465 -0.334 . . . . 0.55 110.133 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.421 ' O ' HG23 ' A' ' 25' ' ' ILE . 20.4 tpt180 -89.17 141.12 28.8 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.917 -0.401 . . . . 2.51 109.917 178.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -148.21 126.91 12.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.252 0.548 . . . . 0.41 111.199 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.6 m -111.94 150.74 14.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.92 -0.582 . . . . 0.24 110.075 174.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.709 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 176.72 -173.69 46.48 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.187 -1.006 . . . . 0.28 112.763 178.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.4 ttp85 -111.22 132.49 54.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.835 0.35 . . . . 3.19 110.073 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.513 HD11 ' CG2' ' A' ' 54' ' ' VAL . 39.8 mm -66.56 124.76 22.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.028 -0.533 . . . . 0.23 110.335 -177.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.4 tp60 -89.93 -48.76 7.01 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.956 -0.566 . . . . 1.13 109.601 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.468 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 37.6 m -160.52 149.31 16.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.848 -0.614 . . . . 0.75 110.097 178.059 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.6 HD11 ' HA ' ' A' ' 49' ' ' LYS . 34.6 mt -102.82 142.11 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.88 0.372 . . . . 0.77 110.784 177.091 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.51 ' H ' ' HB3' ' A' ' 18' ' ' LEU . . . -121.98 -174.07 14.55 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.773 -0.649 . . . . 1.06 112.297 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.721 ' HG3' ' HG3' ' A' ' 16' ' ' ARG . 8.9 pt-20 -70.96 -44.1 66.73 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 122.438 0.295 . . . . 2.51 111.715 -176.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.721 ' HG3' ' HG3' ' A' ' 15' ' ' GLU . 3.9 ppt_? -143.0 8.5 1.67 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.381 0.61 . . . . 3.93 110.897 178.577 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.458 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 17.4 p -156.03 147.73 22.94 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.378 -0.828 . . . . 0.94 108.784 174.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.644 HD21 ' HG ' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -147.01 146.5 30.07 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 116.195 -0.457 . . . . 1.03 111.1 -175.727 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.677 HG22 HG22 ' A' ' 34' ' ' THR . 15.9 mt -91.56 126.84 44.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.687 -0.688 . . . . 0.56 110.181 -176.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.2 mt -125.37 126.19 70.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.727 -0.669 . . . . 0.21 110.167 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.79 89.26 2.86 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.052 -0.722 . . . . 0.22 109.052 171.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.709 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 28.3 p80 -87.61 153.25 21.54 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.755 -0.657 . . . . 0.27 110.685 -178.26 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.417 ' O ' HG13 ' A' ' 25' ' ' ILE . 48.3 mt-10 -71.25 -170.01 0.44 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.48 -0.782 . . . . 3.05 109.969 175.252 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.418 ' O ' ' HB ' ' A' ' 25' ' ' ILE . . . -57.91 -36.26 72.2 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.842 0.682 . . . . 1.5 112.842 -172.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.421 HG23 ' O ' ' A' ' 5' ' ' ARG . 48.2 mt 69.13 89.6 0.09 OUTLIER Pre-proline 0 C--N 1.319 -0.742 0 CA-C-O 121.144 0.497 . . . . 0.63 110.744 -177.473 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -70.87 -5.12 16.18 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 123.061 2.507 . . . . 0.97 112.165 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.4 m -87.82 -18.14 29.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.167 -0.47 . . . . 1.1 111.124 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.96 -6.06 8.46 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.935 0.346 . . . . 0.89 111.935 -176.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 58.79 45.31 15.73 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.764 0.792 . . . . 2.21 109.906 -177.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 29.7 m0 -105.74 175.62 5.44 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.689 -1.141 . . . . 1.02 110.488 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.442 ' O ' ' HG2' ' A' ' 33' ' ' MET . . . -106.77 163.57 13.39 Favored Glycine 0 N--CA 1.44 -1.095 0 N-CA-C 110.889 -0.884 . . . . 1.67 110.889 171.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.07 123.31 20.73 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.702 0.287 . . . . 0.57 110.285 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.442 ' HG2' ' O ' ' A' ' 31' ' ' GLY . 2.6 ptt? -164.54 153.83 13.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.193 0.52 . . . . 0.84 111.58 -175.567 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.677 HG22 HG22 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -78.38 106.94 10.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.012 -0.995 . . . . 0.75 110.101 179.731 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 37.8 ttm -129.92 147.83 51.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.493 -0.321 . . . . 1.6 111.616 -176.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.535 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 40.4 tt0 -86.62 136.3 33.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.828 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -116.88 139.72 50.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.079 -0.51 . . . . 0.37 110.079 176.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.7 133.43 34.02 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.458 -0.337 . . . . 0.34 110.45 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.427 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . . . -93.22 149.04 36.76 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.432 -0.349 . . . . 0.6 111.013 -178.003 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 39' ' ' ALA . 17.6 Cg_exo -67.01 159.55 51.46 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.735 2.29 . . . . 1.1 111.529 174.177 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -62.67 -4.62 5.97 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 122.954 2.436 . . . . 2.05 113.189 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.89 -15.48 51.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.882 0.373 . . . . 1.33 111.066 178.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.39 179.77 45.13 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.833 -0.699 . . . . 0.93 112.457 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.644 ' HG ' HD21 ' A' ' 18' ' ' LEU . 2.6 mm? -103.1 150.79 38.2 Favored Pre-proline 0 C--N 1.318 -0.761 0 CA-C-O 120.994 0.426 . . . . 0.97 111.074 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 5.1 Cg_exo -80.1 -163.53 0.23 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 123.597 2.865 . . . . 0.69 111.884 171.55 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.06 170.27 8.78 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.212 -0.904 . . . . 2.12 110.014 177.68 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.15 13.38 74.37 Favored Glycine 0 N--CA 1.454 -0.143 0 C-N-CA 121.075 -0.583 . . . . 0.63 111.65 -177.094 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.705 ' HB3' HG11 ' A' ' 54' ' ' VAL . 0.9 OUTLIER -140.95 42.81 1.82 Allowed 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 121.21 0.529 . . . . 1.06 110.526 -178.155 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.6 ' HA ' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -96.52 172.02 8.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.821 -0.627 . . . . 3.0 110.283 -176.678 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.468 ' HB2' ' HA ' ' A' ' 12' ' ' SER . . . -50.84 106.51 0.13 Allowed 'General case' 0 C--O 1.231 0.126 0 CA-C-O 121.02 0.438 . . . . 0.37 110.957 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.75 -15.23 7.52 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.584 -0.735 . . . . 0.38 112.114 -177.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -89.93 157.65 17.77 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 121.294 0.569 . . . . 0.53 111.105 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -117.57 122.63 44.16 Favored 'General case' 0 N--CA 1.438 -1.028 0 N-CA-C 108.337 -0.986 . . . . 3.26 108.337 172.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.705 HG11 ' HB3' ' A' ' 48' ' ' LEU . 8.4 m -131.27 162.25 39.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.131 0.491 . . . . 0.3 111.585 -174.482 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -114.38 117.62 31.55 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.572 -0.74 . . . . 0.16 109.706 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.557 ' HB2' HD11 ' A' ' 68' ' ' LEU . 7.7 p90 -127.97 168.0 15.89 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.704 0.764 . . . . 0.36 112.496 -173.381 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.6 p -126.04 140.43 52.6 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.719 -1.128 . . . . 1.08 109.0 172.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.403 ' CE2' ' HG ' ' A' ' 60' ' ' LEU . 11.7 p90 -137.54 154.85 49.76 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.694 0.283 . . . . 0.41 110.319 -177.187 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.498 ' HG3' ' CG2' ' A' ' 69' ' ' VAL . 31.8 mtm180 -104.18 128.01 51.83 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 110.01 -0.367 . . . . 3.07 110.01 178.232 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 65' ' ' MET . 7.0 mt -96.89 108.04 20.66 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.934 -0.576 . . . . 1.04 110.065 175.387 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.401 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 6.3 m-20 -80.52 161.54 64.07 Favored Pre-proline 0 C--N 1.311 -1.093 0 N-CA-C 108.519 -0.919 . . . . 1.87 108.519 176.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.401 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 22.2 Cg_exo -63.42 -17.94 62.32 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.919 2.413 . . . . 1.62 112.903 -167.543 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -77.07 -17.92 58.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.146 -0.479 . . . . 2.43 110.339 -178.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.77 30.45 6.8 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 110.904 -0.879 . . . . 1.08 110.904 -174.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.468 ' O ' HD23 ' A' ' 60' ' ' LEU . 24.5 mmt -95.62 135.61 37.07 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 115.549 -0.325 . . . . 2.74 110.209 -179.16 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -109.05 98.25 7.74 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.648 -0.706 . . . . 0.54 109.464 -176.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.7 m -107.46 116.85 32.67 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.523 -0.762 . . . . 0.71 110.627 -174.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.557 HD11 ' HB2' ' A' ' 56' ' ' PHE . 29.1 tp -70.53 140.95 51.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.799 -0.637 . . . . 1.18 110.011 -178.127 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.502 HG12 HG23 ' A' ' 70' ' ' THR . 46.4 t -111.99 -64.09 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.391 0.615 . . . . 1.01 110.029 -178.643 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.502 HG23 HG12 ' A' ' 69' ' ' VAL . 26.7 p -142.8 138.48 30.42 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.35 -0.841 . . . . 0.42 110.124 -176.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.523 ' HB ' ' HB3' ' A' ' 56' ' ' PHE . 7.2 p -133.96 133.05 56.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 121.053 0.454 . . . . 0.32 110.159 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -126.37 143.61 46.58 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.07 -0.513 . . . . 0.29 110.261 -178.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -48.59 124.7 11.29 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 123.247 2.631 . . . . 0.81 113.585 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.549 ' HG2' ' CA ' ' A' ' 54' ' ' VAL . 3.2 pt20 -117.35 176.21 5.26 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 107.18 -1.415 . . . . 1.08 107.18 168.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.307 -1.246 0 CA-C-O 121.566 0.698 . . . . 1.64 110.347 177.533 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo . . . . . 0 N--CA 1.461 -0.439 0 CA-C-O 121.288 0.453 . . . . 0.95 112.426 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -103.89 111.03 23.39 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.498 -0.774 . . . . 1.13 109.691 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.476 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 58.3 m-70 -100.41 143.33 30.72 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.698 -0.482 . . . . 0.55 109.698 -175.437 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.408 ' HD3' ' HB3' ' A' ' 57' ' ' SER . 10.6 mmt180 -91.68 147.34 23.07 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.018 -0.364 . . . . 2.51 110.018 177.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -148.98 140.01 22.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.04 0.448 . . . . 0.41 111.101 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.6 m -116.1 152.2 17.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.945 -0.571 . . . . 0.24 109.871 173.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.806 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 172.98 -171.95 44.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.234 -0.984 . . . . 0.28 112.522 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.663 ' HG3' ' HG3' ' A' ' 53' ' ' ARG . 46.5 mtm180 -109.63 130.53 55.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.94 0.4 . . . . 3.19 110.392 -178.013 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.538 HD11 HG21 ' A' ' 54' ' ' VAL . 39.8 mm -65.07 124.62 20.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 115.865 -0.607 . . . . 0.23 110.109 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -83.92 -51.14 7.4 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.31 -0.626 . . . . 1.13 109.31 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.4 m -159.97 163.42 34.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.803 -0.635 . . . . 0.75 110.211 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.821 HG23 HD22 ' A' ' 18' ' ' LEU . 93.1 mt -107.85 139.13 31.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.33 -0.619 . . . . 0.77 109.33 177.164 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -114.57 -162.57 14.11 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.764 -0.732 . . . . 1.06 112.788 -177.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -82.84 -42.16 18.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.156 0.503 . . . . 2.51 110.325 -178.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -139.15 5.89 2.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.807 -0.633 . . . . 3.93 111.244 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 p -155.45 145.77 21.85 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.903 -0.59 . . . . 0.94 109.757 176.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.821 HD22 HG23 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -120.72 141.83 50.08 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 109.383 -0.599 . . . . 1.03 109.383 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.493 HG22 HG22 ' A' ' 34' ' ' THR . 17.3 mt -91.13 126.77 43.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.33 -0.618 . . . . 0.56 109.33 178.514 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.8 mt -127.64 118.01 48.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.973 -0.558 . . . . 0.21 110.529 -176.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.722 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -73.18 91.03 1.62 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.052 -0.721 . . . . 0.22 109.052 169.537 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.806 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 25.7 p80 -88.96 151.07 22.52 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.059 -0.519 . . . . 0.27 111.153 -174.626 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -69.27 -165.18 0.07 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.011 -0.995 . . . . 3.05 111.401 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.578 ' O ' ' HD3' ' A' ' 26' ' ' PRO . . . -70.94 112.74 7.34 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 114.905 -1.043 . . . . 1.5 109.915 175.438 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.537 HG22 ' H ' ' A' ' 28' ' ' ALA . 60.6 mt -93.24 102.39 7.25 Favored Pre-proline 0 C--N 1.317 -0.838 0 CA-C-N 115.6 -0.727 . . . . 0.63 110.438 178.646 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.578 ' HD3' ' O ' ' A' ' 24' ' ' ALA . 2.8 Cg_exo -76.38 -8.67 18.59 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.614 2.209 . . . . 0.97 111.782 179.268 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.476 ' HB2' ' HB3' ' A' ' 4' ' ' HIS . 1.4 m -83.61 -25.14 31.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.148 -0.478 . . . . 1.1 110.513 178.223 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.537 ' H ' HG22 ' A' ' 25' ' ' ILE . . . -123.93 0.63 8.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.405 -0.361 . . . . 0.89 111.674 -177.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 64.04 30.39 14.0 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.974 0.416 . . . . 2.21 111.33 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 54.4 m0 -103.2 108.9 20.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.992 0.425 . . . . 1.02 109.891 178.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -89.16 68.87 2.68 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.829 -0.623 . . . . 1.67 113.143 -172.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.431 ' HA ' ' O ' ' A' ' 22' ' ' HIS . . . 70.58 119.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.65 0.738 . . . . 0.57 112.585 174.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.409 ' HG3' ' HG3' ' A' ' 35' ' ' MET . 23.0 ptp -171.77 146.81 2.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.263 -0.88 . . . . 0.84 110.028 178.118 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.722 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 5.4 m -82.13 103.6 11.86 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.239 -0.437 . . . . 0.75 109.888 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.409 ' HG3' ' HG3' ' A' ' 33' ' ' MET . 65.2 mtp -116.98 165.08 13.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.935 0.397 . . . . 1.6 111.851 -175.35 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.425 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 35.7 tt0 -106.34 128.99 54.42 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.287 -0.869 . . . . 1.0 109.983 178.42 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -114.09 129.6 56.61 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.475 -0.33 . . . . 0.37 110.417 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.47 141.07 37.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.075 -0.511 . . . . 0.34 110.909 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.16 145.36 83.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.178 -0.465 . . . . 0.6 111.652 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.45 170.08 19.31 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.609 2.206 . . . . 1.1 111.217 173.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.57 -16.28 35.38 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 122.829 2.353 . . . . 2.05 113.166 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.1 -11.09 56.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.892 0.377 . . . . 1.33 111.256 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.09 -160.52 29.7 Favored Glycine 0 N--CA 1.435 -1.367 0 N-CA-C 111.229 -0.748 . . . . 0.93 111.229 -177.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.67 ' HG ' HD21 ' A' ' 18' ' ' LEU . 2.7 mm? -101.0 142.37 24.48 Favored Pre-proline 0 C--N 1.314 -0.964 0 CA-C-O 120.836 0.351 . . . . 0.97 110.66 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.486 ' HD2' HD21 ' A' ' 48' ' ' LEU . 52.2 Cg_endo -82.96 -160.96 0.13 Allowed 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 122.935 2.424 . . . . 0.69 111.503 170.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -113.05 159.98 18.61 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.729 -0.668 . . . . 2.12 109.343 177.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.03 20.87 24.67 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.779 -0.724 . . . . 0.63 111.88 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.836 HD23 HG11 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -131.61 50.09 2.26 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.975 0.361 . . . . 1.06 111.975 -176.273 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.713 ' HA ' HD11 ' A' ' 13' ' ' ILE . 6.9 ptpp? -95.17 160.98 14.3 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.377 -0.529 . . . . 3.0 111.035 -173.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.04 111.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.405 -0.816 . . . . 0.37 111.3 176.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.23 -9.65 28.93 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.886 -0.673 . . . . 0.38 112.848 178.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.541 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 3.5 m-20 -82.76 144.56 30.1 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 117.138 0.469 . . . . 0.53 110.317 176.111 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.663 ' HG3' ' HG3' ' A' ' 9' ' ' ARG . 12.2 ttt180 -104.28 101.52 11.23 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.173 -1.047 . . . . 3.26 108.173 174.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.538 HG21 HD11 ' A' ' 10' ' ' ILE . 18.3 m -106.84 163.14 5.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 120.938 0.399 . . . . 0.3 111.35 -169.582 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -113.27 111.59 22.29 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.91 -0.774 . . . . 0.16 108.91 174.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.927 ' HB3' HG23 ' A' ' 71' ' ' VAL . 25.3 p90 -129.92 178.64 6.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.311 0.577 . . . . 0.36 112.506 -170.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.475 ' OG ' ' HB ' ' A' ' 69' ' ' VAL . 66.2 p -136.93 151.46 49.07 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.298 -0.865 . . . . 1.08 110.062 179.031 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.458 ' HA ' HG23 ' A' ' 69' ' ' VAL . 44.5 p90 -145.97 153.6 40.97 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.915 0.388 . . . . 0.41 110.38 177.234 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.464 ' HG3' ' CG2' ' A' ' 69' ' ' VAL . 83.8 mtt180 -114.8 137.3 52.1 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.685 -0.487 . . . . 3.07 109.685 177.102 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 65' ' ' MET . 14.1 mt -90.89 111.42 22.83 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.218 -0.66 . . . . 1.04 109.218 174.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -76.45 162.77 69.71 Favored Pre-proline 0 C--N 1.315 -0.904 0 N-CA-C 108.108 -1.071 . . . . 1.87 108.108 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -68.15 1.91 3.11 Favored 'Trans proline' 0 CA--C 1.527 0.133 0 C-N-CA 122.642 2.228 . . . . 1.62 112.885 -171.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.64 ' HB3' ' HG3' ' A' ' 65' ' ' MET . 17.0 t-80 -101.05 -11.66 19.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.836 -0.62 . . . . 2.43 109.507 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.13 31.56 8.42 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.171 -0.922 . . . . 1.08 111.347 -175.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.64 ' HG3' ' HB3' ' A' ' 63' ' ' HIS . 54.2 mtm -96.34 152.51 18.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.655 -0.272 . . . . 2.74 110.267 -177.055 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.61 97.13 5.83 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 109.073 -0.714 . . . . 0.54 109.073 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.9 m -110.07 125.51 53.04 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.495 -0.775 . . . . 0.71 110.751 -174.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.2 tp -70.43 137.82 50.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.533 -0.758 . . . . 1.18 110.105 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.475 ' HB ' ' OG ' ' A' ' 57' ' ' SER . 22.8 t -102.99 -63.22 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.201 0.524 . . . . 1.01 110.142 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.8 p -139.97 154.26 47.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.613 -0.721 . . . . 0.42 109.673 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.927 HG23 ' HB3' ' A' ' 56' ' ' PHE . 9.8 p -139.45 130.78 33.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.102 -0.703 . . . . 0.32 109.102 173.51 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -121.42 136.93 26.3 Favored Pre-proline 0 C--N 1.315 -0.915 0 N-CA-C 109.958 -0.386 . . . . 0.29 109.958 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -66.42 103.64 0.68 Allowed 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 122.013 1.809 . . . . 0.81 111.945 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.41 ' HG3' ' N ' ' A' ' 75' ' ' VAL . 8.7 pt20 -105.26 179.35 4.3 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 107.566 -1.272 . . . . 1.08 107.566 172.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.41 ' N ' ' HG3' ' A' ' 74' ' ' GLN . 1.0 OUTLIER . . . . . 0 C--N 1.305 -1.348 0 N-CA-C 108.492 -0.929 . . . . 1.64 108.492 176.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 C--O 1.234 0.324 0 CA-C-O 120.846 0.269 . . . . 0.95 112.332 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 58' ' ' PHE . 36.9 tt0 -77.69 136.5 38.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.171 -0.468 . . . . 1.13 110.297 178.393 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -126.21 143.41 51.15 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.886 -0.783 . . . . 0.55 108.886 175.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.582 ' HD2' ' HB3' ' A' ' 57' ' ' SER . 16.7 mmm180 -83.43 133.76 34.91 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.92 -0.4 . . . . 2.51 109.92 177.246 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.459 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . . . -137.51 141.19 41.48 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-O 121.165 0.507 . . . . 0.41 110.603 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.9 m -119.23 149.43 21.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.876 -0.602 . . . . 0.24 109.918 173.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.536 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -179.12 -160.22 24.61 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.578 -0.82 . . . . 0.28 112.284 179.304 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.2 ttm-85 -128.17 132.18 48.88 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.95 -0.389 . . . . 3.19 109.95 -177.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.591 HD11 HG21 ' A' ' 54' ' ' VAL . 30.4 mm -63.12 131.37 28.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.923 -0.581 . . . . 0.23 110.12 -178.18 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -98.45 -41.85 7.6 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.582 -0.525 . . . . 1.13 109.582 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -155.95 163.44 39.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.923 -0.581 . . . . 0.75 109.587 174.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.436 HG13 ' HD3' ' A' ' 49' ' ' LYS . 14.5 mm -115.7 153.88 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.431 0.634 . . . . 0.77 111.408 -178.105 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.581 ' HA3' ' O ' ' A' ' 17' ' ' SER . . . -149.04 159.61 28.1 Favored Glycine 0 N--CA 1.437 -1.259 0 N-CA-C 110.217 -1.153 . . . . 1.06 110.217 176.09 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.482 ' CD ' ' H ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -72.75 -31.36 64.88 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 120.969 0.414 . . . . 2.51 110.754 -175.816 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.63 -4.96 4.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.093 -0.503 . . . . 3.93 111.974 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.581 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 2.3 p -158.73 137.87 11.42 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.289 -0.263 . . . . 0.94 110.289 176.23 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.612 HD21 ' HG ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -142.36 148.54 38.08 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.256 0.55 . . . . 1.03 111.598 -176.747 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.545 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 38.8 mt -94.29 128.5 45.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.409 -0.814 . . . . 0.56 110.489 -174.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.9 mt -129.1 124.51 60.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.098 0.475 . . . . 0.21 110.96 -178.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.487 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -76.88 92.28 3.63 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.324 -0.621 . . . . 0.22 109.324 171.148 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.536 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 31.5 p80 -92.51 153.28 19.18 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.988 -0.551 . . . . 0.27 110.313 -177.384 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -72.08 -166.03 0.21 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.025 -0.534 . . . . 3.05 110.213 174.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.41 -25.76 66.92 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.954 0.353 . . . . 1.5 111.954 -173.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.9 mt 62.7 83.77 0.2 Allowed Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 120.889 0.376 . . . . 0.63 110.779 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.44 -16.58 55.47 Favored 'Trans proline' 0 CA--C 1.526 0.116 0 C-N-CA 122.602 2.201 . . . . 0.97 112.123 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.3 t -75.46 -22.12 57.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.985 -0.552 . . . . 1.1 110.808 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.3 -3.69 8.43 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.474 0.546 . . . . 0.89 112.474 -174.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 60.27 41.61 16.27 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.47 0.653 . . . . 2.21 110.722 -178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -96.05 176.28 6.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.341 -0.845 . . . . 1.02 110.88 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -102.42 166.75 17.37 Favored Glycine 0 N--CA 1.441 -1.013 0 C-N-CA 120.535 -0.84 . . . . 1.67 111.113 170.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.98 111.14 18.57 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.525 -0.546 . . . . 0.57 109.525 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 6.4 ptt? -158.97 159.29 34.69 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.258 0.551 . . . . 0.84 111.277 -172.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 21.9 m -92.56 104.32 16.64 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.135 -0.939 . . . . 0.75 110.628 -176.571 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.6 mmm -122.97 163.83 19.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.899 -0.591 . . . . 1.6 111.196 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.545 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 42.6 tt0 -101.22 140.18 35.87 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.701 -0.682 . . . . 1.0 110.934 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -115.54 139.24 50.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.661 -0.7 . . . . 0.37 110.188 -177.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.02 129.23 35.01 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.951 -0.568 . . . . 0.34 109.985 177.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.92 152.64 44.64 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 116.369 -0.378 . . . . 0.6 111.11 -175.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.479 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 36.7 Cg_exo -58.05 145.26 92.67 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.613 2.208 . . . . 1.1 111.448 173.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 40' ' ' PRO . 32.6 Cg_exo -60.32 -14.62 30.6 Favored 'Trans proline' 0 CA--C 1.53 0.323 0 C-N-CA 122.871 2.381 . . . . 2.05 112.617 178.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.29 -3.79 59.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.91 0.386 . . . . 1.33 110.959 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.14 177.62 47.47 Favored Glycine 0 N--CA 1.439 -1.12 0 C-N-CA 120.907 -0.663 . . . . 0.93 112.669 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.612 ' HG ' HD21 ' A' ' 18' ' ' LEU . 2.7 mm? -96.46 157.07 36.04 Favored Pre-proline 0 C--N 1.317 -0.843 0 CA-C-N 115.182 -0.509 . . . . 0.97 110.746 -178.481 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.541 ' HD2' HD21 ' A' ' 48' ' ' LEU . 12.6 Cg_exo -71.46 -163.78 0.14 Allowed 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.673 2.249 . . . . 0.69 111.727 170.7 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -114.97 156.26 25.39 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.666 -0.697 . . . . 2.12 110.151 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.86 16.19 42.76 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.672 -0.775 . . . . 0.63 112.383 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.541 HD21 ' HD2' ' A' ' 45' ' ' PRO . 0.9 OUTLIER -138.53 53.42 1.79 Allowed 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 121.116 0.484 . . . . 1.06 111.624 -175.705 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.436 ' HD3' HG13 ' A' ' 13' ' ' ILE . 75.7 mmtt -96.3 170.45 9.23 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.343 -0.39 . . . . 3.0 110.867 -177.388 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.2 115.58 1.04 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.779 -0.646 . . . . 0.37 111.374 176.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.19 -15.93 25.18 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.164 -0.541 . . . . 0.38 112.822 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -84.85 157.81 20.81 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.15 0.5 . . . . 0.53 111.795 -177.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.0 ttt85 -104.01 127.26 51.56 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.418 -0.81 . . . . 3.26 109.013 172.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.604 ' HA ' ' H ' ' A' ' 74' ' ' GLN . 15.7 m -132.36 158.06 43.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.922 0.391 . . . . 0.3 111.361 -177.268 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -115.36 118.18 32.52 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.917 -0.772 . . . . 0.16 108.917 174.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.728 ' HB3' HG23 ' A' ' 71' ' ' VAL . 27.9 p90 -135.54 174.08 11.0 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.56 0.578 . . . . 0.36 112.56 -169.351 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.582 ' HB3' ' HD2' ' A' ' 5' ' ' ARG . 90.0 p -135.83 147.3 48.23 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.336 -0.847 . . . . 1.08 109.232 175.231 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.413 ' O ' ' HA ' ' A' ' 3' ' ' GLU . 38.5 p90 -141.45 150.25 42.03 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.66 -0.416 . . . . 0.41 111.156 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -104.33 147.03 27.97 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.405 -0.816 . . . . 3.07 109.36 174.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.6 mt -107.33 130.69 54.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.102 0.477 . . . . 1.04 112.023 -175.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.401 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 52.2 m-20 -89.96 166.63 19.66 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.419 -0.809 . . . . 1.87 108.945 172.535 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.401 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 10.4 Cg_exo -72.2 1.16 6.32 Favored 'Trans proline' 0 N--CA 1.464 -0.234 0 C-N-CA 123.183 2.588 . . . . 1.62 112.485 -177.154 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -99.25 -0.75 40.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.224 -0.444 . . . . 2.43 110.345 175.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.66 24.86 57.72 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 111.102 -0.799 . . . . 1.08 111.102 -175.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.496 ' HA ' ' CE ' ' A' ' 65' ' ' MET . 9.5 mmt -87.88 146.07 25.75 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 109.687 -0.486 . . . . 2.74 109.687 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.27 106.83 13.19 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.168 0.509 . . . . 0.54 109.984 -173.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.15 118.31 34.48 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.904 -0.589 . . . . 0.71 110.267 -177.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.54 HD11 ' HB2' ' A' ' 56' ' ' PHE . 30.7 tp -72.28 114.22 10.17 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.802 -0.635 . . . . 1.18 110.558 -175.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.412 HG23 ' HA ' ' A' ' 58' ' ' PHE . 18.7 t -85.25 -57.75 4.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.815 -0.63 . . . . 1.01 110.137 -177.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.1 p -140.08 148.38 41.66 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.894 -0.594 . . . . 0.42 109.677 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.728 HG23 ' HB3' ' A' ' 56' ' ' PHE . 13.8 p -146.79 123.54 3.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.315 0.579 . . . . 0.32 110.568 173.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -112.95 131.95 22.55 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 115.782 -0.645 . . . . 0.29 110.095 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.593 ' HA ' HG12 ' A' ' 54' ' ' VAL . 55.5 Cg_exo -52.52 114.61 1.75 Allowed 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.826 2.351 . . . . 0.81 111.95 177.269 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.604 ' H ' ' HA ' ' A' ' 54' ' ' VAL . 2.2 tt0 -88.46 174.47 8.1 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.758 -0.655 . . . . 1.08 110.493 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.1 m . . . . . 0 C--N 1.312 -1.036 0 CA-C-N 114.808 -1.087 . . . . 1.64 108.398 175.437 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo . . . . . 0 C--O 1.236 0.412 0 CA-C-O 121.186 0.411 . . . . 0.95 112.875 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.405 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 33.4 tt0 -112.38 133.06 54.68 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.313 -0.625 . . . . 1.13 109.313 -179.282 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.493 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 91.7 m-70 -134.1 159.46 40.77 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.345 -0.242 . . . . 0.55 110.345 -174.497 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.793 ' HG2' ' HB3' ' A' ' 57' ' ' SER . 50.6 mtt-85 -107.27 158.9 16.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.755 0.312 . . . . 2.51 111.176 178.076 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -158.87 153.73 24.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.611 -0.722 . . . . 0.41 110.168 177.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.475 ' O ' ' HG3' ' A' ' 23' ' ' GLU . 29.1 m -117.75 147.48 21.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.604 -0.517 . . . . 0.24 109.604 173.158 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -169.19 176.17 43.34 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 119.867 -1.158 . . . . 0.28 113.097 -176.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -110.52 129.89 55.69 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.196 -1.038 . . . . 3.19 108.196 175.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.606 HD11 HG21 ' A' ' 54' ' ' VAL . 41.7 mm -60.3 128.09 20.81 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-O 121.126 0.489 . . . . 0.23 110.814 -176.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -88.68 -43.81 11.04 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.438 -0.801 . . . . 1.13 109.496 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.0 t -172.45 158.02 4.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.903 -0.589 . . . . 0.75 110.49 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.826 HG23 HD22 ' A' ' 18' ' ' LEU . 71.5 mt -107.59 134.0 50.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.986 -0.552 . . . . 0.77 110.123 178.509 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.8 -159.45 20.58 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.126 -0.559 . . . . 1.06 112.418 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.69 -45.77 42.18 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.442 0.639 . . . . 2.51 109.764 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.01 15.05 1.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.056 -0.975 . . . . 3.93 110.738 -177.271 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.567 ' HB2' ' HG2' ' A' ' 36' ' ' GLU . 3.2 p -157.27 142.88 17.43 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.712 -0.676 . . . . 0.94 109.693 179.005 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.826 HD22 HG23 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -125.63 141.13 52.18 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 120.518 -0.473 . . . . 1.03 110.052 -177.749 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.642 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 21.5 mt -88.7 128.58 40.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 108.933 -0.765 . . . . 0.56 108.933 178.662 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 56.4 mt -126.36 125.52 67.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.592 -0.276 . . . . 0.21 110.693 -177.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.93 91.24 3.01 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.947 -0.76 . . . . 0.22 108.947 172.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -95.98 159.93 14.72 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.75 -0.659 . . . . 0.27 110.583 -177.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 7' ' ' VAL . 1.3 pp20? -65.7 -165.69 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.412 -0.813 . . . . 3.05 111.364 175.179 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.593 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -61.95 -38.81 89.91 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.334 0.494 . . . . 1.5 112.334 -172.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.425 HD12 ' CE3' ' A' ' 30' ' ' TRP . 18.1 mt 70.72 83.49 0.16 Allowed Pre-proline 0 C--N 1.318 -0.774 0 CA-C-N 115.797 -0.638 . . . . 0.63 110.322 -172.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -70.26 -2.03 9.86 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 123.228 2.618 . . . . 0.97 111.383 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.493 ' CB ' ' HB3' ' A' ' 4' ' ' HIS . 16.4 m -89.6 -21.49 22.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.239 -0.891 . . . . 1.1 110.821 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.27 1.72 9.1 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.064 -0.255 . . . . 0.89 111.658 -176.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 64.7 32.72 11.04 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.366 0.416 . . . . 2.21 111.301 177.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.425 ' CE3' HD12 ' A' ' 25' ' ' ILE . 53.5 m0 -95.16 173.05 7.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.332 -0.395 . . . . 1.02 110.268 177.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -125.02 42.71 1.48 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.451 -0.881 . . . . 1.67 113.381 -175.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.593 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 66.3 114.08 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.012 0.525 . . . . 0.57 112.364 175.348 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 19.9 ptt? -163.02 158.07 21.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.119 -0.491 . . . . 0.84 110.834 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.97 104.4 8.51 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 115.73 -0.668 . . . . 0.75 110.983 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 30.2 ttm -120.02 141.99 49.22 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.084 -0.507 . . . . 1.6 111.59 -176.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.642 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 39.8 tt0 -94.02 121.47 35.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.336 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -102.01 136.35 41.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.197 -0.456 . . . . 0.37 110.386 -177.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.89 136.63 40.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.048 -0.524 . . . . 0.34 110.671 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.84 140.42 77.73 Favored Pre-proline 0 C--O 1.235 0.335 0 CA-C-O 120.874 0.368 . . . . 0.6 111.421 -177.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 45.5 Cg_endo -68.78 159.67 52.79 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.744 2.296 . . . . 1.1 111.407 175.539 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 40' ' ' PRO . 34.4 Cg_exo -59.5 -17.17 39.68 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 123.061 2.508 . . . . 2.05 113.01 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.0 -14.72 53.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.566 -0.288 . . . . 1.33 111.67 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.82 178.43 34.98 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.656 -0.783 . . . . 0.93 111.997 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -96.95 139.63 21.66 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-O 120.991 0.424 . . . . 0.97 110.848 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.488 ' HD2' HD21 ' A' ' 48' ' ' LEU . 51.0 Cg_exo -59.81 -178.59 0.18 Allowed 'Trans proline' 0 CA--C 1.519 -0.259 0 C-N-CA 123.927 3.085 . . . . 0.69 113.482 170.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -114.47 112.5 23.09 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 114.745 -1.116 . . . . 2.12 109.585 177.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 135.71 27.07 0.45 Allowed Glycine 0 C--N 1.31 -0.874 0 CA-C-N 114.703 -1.135 . . . . 0.63 111.633 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.488 HD21 ' HD2' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -135.35 48.98 2.21 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 111.886 0.328 . . . . 1.06 111.886 -176.633 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.586 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 7.7 ptpp? -95.71 167.89 11.0 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.016 -0.364 . . . . 3.0 110.016 -177.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.86 112.0 0.5 Allowed 'General case' 0 C--O 1.233 0.193 0 O-C-N 123.324 0.39 . . . . 0.37 111.202 176.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 110.08 -13.72 31.42 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.849 -0.691 . . . . 0.38 112.928 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.461 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 94.8 m-20 -83.22 140.69 32.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 117.003 0.402 . . . . 0.53 110.183 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.504 ' HB3' ' HG2' ' A' ' 74' ' ' GLN . 0.4 OUTLIER -97.55 123.55 41.48 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.594 -0.521 . . . . 3.26 109.594 174.892 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.671 HG12 ' HA ' ' A' ' 73' ' ' PRO . 15.0 m -128.33 151.39 35.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-O 121.042 0.449 . . . . 0.3 111.448 -176.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.97 123.13 48.63 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.621 -0.881 . . . . 0.16 108.621 174.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.634 ' HB3' HG23 ' A' ' 71' ' ' VAL . 17.8 p90 -141.71 172.43 12.7 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.917 0.71 . . . . 0.36 112.917 -168.363 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.793 ' HB3' ' HG2' ' A' ' 5' ' ' ARG . 12.4 p -131.46 144.78 51.41 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 114.776 -1.102 . . . . 1.08 109.504 173.329 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -130.39 148.61 52.23 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.232 -0.44 . . . . 0.41 109.972 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 59' ' ' ARG . 22.6 ttp180 -114.77 118.63 34.13 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.986 -0.552 . . . . 3.07 109.864 -178.469 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.437 HD23 ' O ' ' A' ' 65' ' ' MET . 14.6 mt -89.58 141.6 28.45 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 115.63 -0.714 . . . . 1.04 110.292 -178.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.535 ' CG ' ' HG2' ' A' ' 65' ' ' MET . 8.1 p-10 -103.36 169.64 7.16 Favored Pre-proline 0 C--N 1.316 -0.858 0 N-CA-C 109.68 -0.489 . . . . 1.87 109.68 173.067 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.409 ' CD ' ' HB2' ' A' ' 61' ' ' ASP . 17.4 Cg_exo -65.22 -11.59 30.79 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.879 2.386 . . . . 1.62 111.747 -179.017 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -85.21 -26.97 26.41 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.315 -0.624 . . . . 2.43 109.315 -178.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.01 30.21 5.52 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.337 -0.847 . . . . 1.08 112.723 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.535 ' HG2' ' CG ' ' A' ' 61' ' ' ASP . 25.4 ptm -102.57 139.69 37.83 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.246 -0.65 . . . . 2.74 109.246 176.575 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -106.38 102.87 12.24 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.341 0.591 . . . . 0.54 109.599 -177.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.79 133.56 42.93 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.594 -0.73 . . . . 0.71 110.238 -175.582 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 26.3 tp -76.0 121.33 22.57 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.114 -0.494 . . . . 1.18 109.859 -178.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.3 t -89.12 -63.14 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.357 0.599 . . . . 1.01 110.044 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.4 p -144.91 144.24 30.98 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.348 -0.842 . . . . 0.42 109.646 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.634 HG23 ' HB3' ' A' ' 56' ' ' PHE . 9.4 p -141.14 129.01 22.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 109.77 -0.456 . . . . 0.32 109.77 178.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -120.66 127.36 26.3 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 116.094 -0.503 . . . . 0.29 110.128 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.671 ' HA ' HG12 ' A' ' 54' ' ' VAL . 60.8 Cg_exo -52.5 122.15 10.31 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.596 2.197 . . . . 0.81 111.539 177.316 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.504 ' HG2' ' HB3' ' A' ' 53' ' ' ARG . 0.6 OUTLIER -103.74 176.58 5.1 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.378 -0.601 . . . . 1.08 109.378 -178.092 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.2 m . . . . . 0 C--N 1.31 -1.151 0 CA-C-N 115.453 -0.794 . . . . 1.64 109.132 -179.509 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo . . . . . 0 C--O 1.235 0.359 0 CA-C-O 120.946 0.311 . . . . 0.95 112.646 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.477 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 35.9 tt0 -91.8 132.33 36.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.812 -0.631 . . . . 1.13 110.324 -179.193 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.476 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 79.8 m-70 -128.33 163.37 24.95 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.687 -0.486 . . . . 0.55 109.687 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.61 ' HD2' ' HB3' ' A' ' 57' ' ' SER . 18.8 mmm180 -95.77 147.39 23.68 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.519 -0.178 . . . . 2.51 110.519 179.111 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.421 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . . . -154.72 147.12 23.97 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.328 0.585 . . . . 0.41 111.446 176.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.0 m -119.91 158.14 21.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.507 -0.769 . . . . 0.24 110.287 173.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.685 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 172.35 -168.36 41.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.409 -0.9 . . . . 0.28 112.712 178.315 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 53' ' ' ARG . 27.1 ttp180 -112.32 134.73 53.69 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.69 -0.485 . . . . 3.19 109.69 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.628 HD11 ' CG2' ' A' ' 54' ' ' VAL . 36.3 mm -66.88 132.41 32.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 N-CA-C 109.948 -0.39 . . . . 0.23 109.948 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -96.9 -48.69 5.33 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.289 -0.634 . . . . 1.13 109.289 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.0 m -159.98 146.49 15.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.759 -0.655 . . . . 0.75 109.984 174.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.732 HG23 HD22 ' A' ' 18' ' ' LEU . 22.9 mt -102.99 134.61 43.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.443 -0.344 . . . . 0.77 110.147 175.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -111.96 -175.16 19.81 Favored Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 111.535 -0.626 . . . . 1.06 111.535 175.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -83.93 -16.96 42.3 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.959 0.409 . . . . 2.51 110.705 -177.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -146.82 -6.73 0.5 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.95 -0.568 . . . . 3.93 111.938 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 p -155.33 140.05 17.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.809 0.338 . . . . 0.94 110.63 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.732 HD22 HG23 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -123.04 130.4 52.75 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.898 -0.592 . . . . 1.03 109.939 -177.677 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 58.1 mt -82.48 123.08 38.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 109.036 -0.727 . . . . 0.56 109.036 174.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.419 ' HB ' ' CE1' ' A' ' 37' ' ' PHE . 78.9 mt -128.35 132.46 68.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.944 0.402 . . . . 0.21 110.853 -177.13 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.01 89.52 7.62 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 109.311 -0.626 . . . . 0.22 109.311 172.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.685 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 26.4 p80 -85.68 156.01 20.84 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.424 -0.807 . . . . 0.27 109.848 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -70.99 -158.95 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.3 -0.259 . . . . 3.05 110.3 176.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.405 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -57.72 -47.29 82.83 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.555 0.576 . . . . 1.5 112.555 -172.185 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.487 HG22 ' H ' ' A' ' 28' ' ' ALA . 16.3 mt 68.72 92.61 0.06 OUTLIER Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 120.969 0.414 . . . . 0.63 110.981 -174.196 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -65.48 -35.35 39.34 Favored 'Trans proline' 0 CA--C 1.527 0.15 0 C-N-CA 122.614 2.209 . . . . 0.97 112.47 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.476 ' HB2' ' HB3' ' A' ' 4' ' ' HIS . 4.9 m -66.99 -25.45 66.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.478 -0.328 . . . . 1.1 111.663 -176.339 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.487 ' H ' HG22 ' A' ' 25' ' ' ILE . . . -107.34 -2.51 20.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.871 0.367 . . . . 0.89 110.707 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 55.16 39.87 31.59 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.517 -0.765 . . . . 2.21 111.387 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.404 ' CH2' HD21 ' A' ' 60' ' ' LEU . 39.7 m0 -94.97 173.8 7.41 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.873 -0.603 . . . . 1.02 110.202 177.464 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.08 39.31 2.04 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.799 -0.715 . . . . 1.67 112.156 -177.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.405 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 70.04 123.34 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.42 0.688 . . . . 0.57 111.634 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 21.9 ptt? -172.09 154.35 3.39 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.151 -0.477 . . . . 0.84 110.751 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.28 106.15 5.78 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 115.909 -0.587 . . . . 0.75 110.998 178.304 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.4 mmm -118.44 156.79 28.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.363 -0.38 . . . . 1.6 110.924 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -97.94 125.12 42.7 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.536 -0.757 . . . . 1.0 110.017 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.839 ' HB3' ' HG ' ' A' ' 68' ' ' LEU . 74.4 m-85 -104.84 130.02 53.05 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.721 -0.672 . . . . 0.37 110.531 -178.576 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.83 139.49 41.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.244 -0.435 . . . . 0.34 110.335 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.35 144.66 28.31 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.418 -0.356 . . . . 0.6 110.977 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -61.9 149.45 90.15 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.475 2.117 . . . . 1.1 110.981 172.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -57.27 -20.33 38.63 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.072 2.515 . . . . 2.05 113.175 -176.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.75 -22.93 61.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.482 -0.326 . . . . 1.33 111.344 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.41 171.48 32.05 Favored Glycine 0 N--CA 1.442 -0.963 0 C-N-CA 120.623 -0.798 . . . . 0.93 112.259 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.452 HD21 HD21 ' A' ' 18' ' ' LEU . 2.5 mm? -91.8 152.2 42.91 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-O 120.725 0.297 . . . . 0.97 110.779 -176.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 6.6 Cg_exo -74.5 -165.96 0.3 Allowed 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 123.04 2.493 . . . . 0.69 111.641 172.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -116.7 160.78 20.24 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.124 -0.489 . . . . 2.12 110.463 179.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.61 13.1 65.74 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.778 -0.725 . . . . 0.63 111.807 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.508 ' O ' HD11 ' A' ' 13' ' ' ILE . 0.9 OUTLIER -136.52 45.13 2.34 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.363 0.601 . . . . 1.06 110.55 -178.729 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.605 ' HG3' ' OD2' ' A' ' 52' ' ' ASP . 4.5 pttp -96.11 -178.32 4.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.392 -0.822 . . . . 3.0 110.741 -174.352 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.03 117.2 1.99 Allowed 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.302 -0.408 . . . . 0.37 111.86 -178.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.69 -20.63 29.26 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.883 -0.599 . . . . 0.38 112.712 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.605 ' OD2' ' HG3' ' A' ' 49' ' ' LYS . 8.8 m-20 -79.93 159.9 26.17 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.461 0.648 . . . . 0.53 111.437 -176.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.412 ' HD3' ' HA ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -110.05 121.25 44.83 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.093 -0.958 . . . . 3.26 109.198 177.499 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.628 ' CG2' HD11 ' A' ' 10' ' ' ILE . 12.5 m -130.26 150.44 34.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.281 0.563 . . . . 0.3 112.058 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.49 118.93 38.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.282 -0.872 . . . . 0.16 108.803 175.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.704 ' HB3' HG23 ' A' ' 71' ' ' VAL . 27.1 p90 -136.09 167.49 21.16 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.258 0.836 . . . . 0.36 113.258 -168.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.61 ' HB3' ' HD2' ' A' ' 5' ' ' ARG . 73.0 p -121.4 142.14 50.29 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 114.925 -1.034 . . . . 1.08 109.228 170.567 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -144.43 160.33 41.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.395 -0.366 . . . . 0.41 110.029 -177.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.477 ' HA ' ' HA ' ' A' ' 3' ' ' GLU . 7.6 mtm180 -104.48 162.16 13.48 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.468 -0.493 . . . . 3.07 109.84 176.635 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.438 ' HA ' ' O ' ' A' ' 65' ' ' MET . 13.3 mt -109.85 116.36 31.51 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.819 -0.628 . . . . 1.04 110.267 170.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.584 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 28.8 m-20 -82.86 168.01 25.85 Favored Pre-proline 0 C--N 1.318 -0.784 0 N-CA-C 108.493 -0.928 . . . . 1.87 108.493 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.49 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 52.9 Cg_exo -55.08 -23.39 35.48 Favored 'Trans proline' 0 CA--C 1.535 0.535 0 C-N-CA 122.737 2.291 . . . . 1.62 114.53 -168.041 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -88.59 -9.85 50.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.997 0.427 . . . . 2.43 111.168 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.28 28.49 9.12 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.482 -1.047 . . . . 1.08 110.482 -172.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.584 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 80.9 mtp -88.91 146.46 24.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.919 -0.64 . . . . 2.74 110.123 -177.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.448 ' O ' ' HA ' ' A' ' 37' ' ' PHE . . . -108.94 121.16 44.54 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.261 -0.427 . . . . 0.54 110.654 -176.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.8 t -120.21 126.05 49.67 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 110.005 -0.369 . . . . 0.71 110.005 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.839 ' HG ' ' HB3' ' A' ' 37' ' ' PHE . 61.6 mt -72.11 141.73 49.17 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.897 0.38 . . . . 1.18 110.523 -177.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.9 t -111.72 -54.75 4.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-N 115.889 -0.596 . . . . 1.01 109.708 177.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.0 p -146.29 143.38 29.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.593 -0.731 . . . . 0.42 109.819 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.704 HG23 ' HB3' ' A' ' 56' ' ' PHE . 10.4 p -142.04 132.95 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.338 0.589 . . . . 0.32 111.406 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.86 132.7 24.25 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.822 -0.627 . . . . 0.29 110.245 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.602 ' HA ' HG12 ' A' ' 54' ' ' VAL . 48.5 Cg_exo -58.72 127.67 25.33 Favored 'Trans proline' 0 CA--C 1.528 0.202 0 C-N-CA 122.954 2.436 . . . . 0.81 112.279 178.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.502 ' HG2' ' C ' ' A' ' 54' ' ' VAL . 1.0 OUTLIER -118.77 175.2 5.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.797 -0.638 . . . . 1.08 109.934 -178.54 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.6 m . . . . . 0 C--N 1.315 -0.904 0 CA-C-N 115.343 -0.844 . . . . 1.64 109.015 179.513 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo . . . . . 0 C--O 1.235 0.341 0 CA-C-O 120.88 0.283 . . . . 0.95 112.403 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -86.74 130.71 34.37 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.091 -0.504 . . . . 1.13 110.441 -177.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.437 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 49.1 m-70 -128.15 150.69 49.88 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.226 -1.028 . . . . 0.55 108.226 177.343 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.522 ' HG2' ' HB3' ' A' ' 57' ' ' SER . 39.9 mtp180 -97.25 155.45 16.86 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.344 -0.543 . . . . 2.51 111.688 178.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.444 ' HB3' ' CE1' ' A' ' 56' ' ' PHE . . . -159.75 159.49 32.84 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.323 -0.853 . . . . 0.41 110.662 176.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.559 ' HB ' HE22 ' A' ' 74' ' ' GLN . 29.9 m -123.42 146.86 28.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.626 -0.716 . . . . 0.24 109.375 172.244 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.687 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -169.22 178.22 42.51 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.045 -1.074 . . . . 0.28 112.868 -179.18 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -112.16 135.8 52.36 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.856 -0.424 . . . . 3.19 109.856 -178.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.463 HD11 HG21 ' A' ' 54' ' ' VAL . 29.0 mm -71.93 135.3 28.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 116.227 -0.442 . . . . 0.23 110.818 -177.216 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -95.71 -46.0 6.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.954 -0.567 . . . . 1.13 109.824 174.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.0 m -159.39 159.25 33.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.58 -0.736 . . . . 0.75 110.128 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.892 HD11 ' HA ' ' A' ' 49' ' ' LYS . 54.1 mt -115.05 143.8 24.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.14 0.495 . . . . 0.77 111.374 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.445 ' H ' ' HB3' ' A' ' 18' ' ' LEU . . . -133.34 176.99 19.32 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 110.498 -1.041 . . . . 1.06 110.498 173.513 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -65.89 -49.74 66.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.192 0.496 . . . . 2.51 111.341 -178.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.46 4.05 5.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.333 -0.394 . . . . 3.93 111.841 -174.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.3 p -155.6 143.48 19.81 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.075 0.464 . . . . 0.94 110.51 172.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.674 HD21 ' HG ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -150.05 155.04 39.18 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.778 -0.647 . . . . 1.03 110.472 -178.156 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.3 mt -97.15 128.52 48.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.304 -0.407 . . . . 0.56 110.702 -173.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.401 ' HB ' ' CE1' ' A' ' 37' ' ' PHE . 73.9 mt -129.55 127.97 65.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.143 -0.48 . . . . 0.21 110.853 -178.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.585 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -86.7 91.07 8.49 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.806 -0.813 . . . . 0.22 108.806 173.038 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.687 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 24.9 p80 -84.83 154.02 22.58 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.519 -0.764 . . . . 0.27 110.875 -176.431 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -66.15 -166.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.56 -0.745 . . . . 3.05 110.985 175.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.483 ' O ' ' HB2' ' A' ' 30' ' ' TRP . . . -56.33 -46.73 79.77 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.883 -0.598 . . . . 1.5 112.174 -176.186 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.467 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 27.6 mt 75.18 92.44 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.176 -0.465 . . . . 0.63 110.866 -177.33 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.77 -9.18 22.28 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.499 2.133 . . . . 0.97 112.19 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.437 ' HB3' ' HB3' ' A' ' 4' ' ' HIS . 49.9 m -80.08 -19.37 47.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.967 -0.56 . . . . 1.1 110.865 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.97 -9.53 7.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.89 111.44 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.1 mp0 64.76 34.09 9.79 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.231 -0.44 . . . . 2.21 111.15 -178.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.483 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 53.2 m0 -84.48 173.92 10.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.069 -0.514 . . . . 1.02 110.202 177.524 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.81 36.93 3.07 Favored Glycine 0 C--N 1.323 -0.193 0 C-N-CA 120.622 -0.799 . . . . 1.67 112.99 -176.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.472 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 69.02 128.8 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.263 0.625 . . . . 0.57 111.794 178.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 19.2 ptt? -171.73 146.47 2.12 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.915 -0.584 . . . . 0.84 111.045 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.585 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 21.0 m -75.05 108.66 7.93 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.388 -0.824 . . . . 0.75 110.277 178.358 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.2 mmm -127.03 158.23 37.49 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.157 -0.474 . . . . 1.6 111.56 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -90.71 136.82 32.82 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.345 -0.843 . . . . 1.0 109.872 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.401 ' CE1' ' HB ' ' A' ' 20' ' ' ILE . 62.6 m-85 -115.32 138.83 50.55 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.195 -0.457 . . . . 0.37 109.84 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.82 132.23 42.75 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.82 -0.627 . . . . 0.34 110.219 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.06 155.86 37.74 Favored Pre-proline 0 C--N 1.316 -0.864 0 CA-C-N 116.2 -0.454 . . . . 0.6 110.35 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.55 159.53 53.14 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.539 2.16 . . . . 1.1 111.047 173.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -57.66 -15.51 20.98 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.034 2.489 . . . . 2.05 112.939 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.72 -36.35 78.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.474 . . . . 1.33 110.852 177.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.38 166.87 33.91 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.949 -0.644 . . . . 0.93 112.852 177.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.674 ' HG ' HD21 ' A' ' 18' ' ' LEU . 2.5 mm? -95.71 149.98 36.79 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-O 120.642 0.258 . . . . 0.97 111.029 -177.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -78.52 -164.14 0.26 Allowed 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.427 2.085 . . . . 0.69 111.741 172.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -103.64 177.51 4.82 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.577 -0.527 . . . . 2.12 109.577 173.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.11 10.34 62.62 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.546 -0.835 . . . . 0.63 111.511 -177.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.508 ' HB3' HG11 ' A' ' 54' ' ' VAL . 1.7 pp -143.7 47.84 1.44 Allowed 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 122.665 0.386 . . . . 1.06 111.417 -176.228 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.892 ' HA ' HD11 ' A' ' 13' ' ' ILE . 9.3 ptpp? -94.21 167.02 11.82 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.541 -0.464 . . . . 3.0 110.237 -172.582 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.93 106.54 0.1 Allowed 'General case' 0 C--O 1.234 0.252 0 O-C-N 123.447 0.467 . . . . 0.37 111.221 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.84 -21.93 7.37 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.964 -0.636 . . . . 0.38 112.494 -177.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.505 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 7.0 m-20 -79.86 153.78 28.83 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 120.936 0.398 . . . . 0.53 110.577 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.454 HH11 ' HD2' ' A' ' 53' ' ' ARG . 6.2 ttt180 -111.84 119.37 38.35 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.243 -1.021 . . . . 3.26 108.243 172.583 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.508 HG11 ' HB3' ' A' ' 48' ' ' LEU . 5.0 m -120.59 155.02 23.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 121.097 0.475 . . . . 0.3 111.679 -172.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.16 130.14 55.49 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.63 -0.878 . . . . 0.16 108.63 175.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.664 ' HB3' HG23 ' A' ' 71' ' ' VAL . 49.6 p90 -148.6 170.23 18.56 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.018 -0.673 . . . . 0.36 112.758 -168.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.522 ' HB3' ' HG2' ' A' ' 5' ' ' ARG . 80.5 p -128.78 137.39 51.51 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 114.834 -1.075 . . . . 1.08 109.045 171.088 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -134.89 154.21 51.76 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.14 -0.482 . . . . 0.41 110.228 -176.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.507 ' HG3' HG21 ' A' ' 69' ' ' VAL . 47.3 mtm-85 -103.89 124.64 49.33 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 120.734 0.302 . . . . 3.07 110.197 178.12 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.417 HD23 ' O ' ' A' ' 65' ' ' MET . 13.9 mt -89.46 110.88 21.66 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-N 115.907 -0.588 . . . . 1.04 109.968 176.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.402 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 52.8 m-20 -79.07 161.4 68.4 Favored Pre-proline 0 C--N 1.315 -0.924 0 N-CA-C 108.939 -0.763 . . . . 1.87 108.939 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -67.02 1.3 2.94 Favored 'Trans proline' 0 CA--C 1.528 0.192 0 C-N-CA 123.223 2.616 . . . . 1.62 114.317 -166.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -104.41 -8.25 19.3 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.042 0.449 . . . . 2.43 110.656 178.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.66 33.81 6.27 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.593 -0.813 . . . . 1.08 111.209 -176.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.417 ' O ' HD23 ' A' ' 60' ' ' LEU . 26.1 mmt -97.48 145.78 25.87 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.23 -0.656 . . . . 2.74 109.23 178.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.18 97.4 6.04 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.197 -0.668 . . . . 0.54 109.197 -174.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.7 m -101.45 115.66 31.01 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.519 -0.764 . . . . 0.71 110.699 -175.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.7 tp -72.03 122.07 20.27 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.199 -0.909 . . . . 1.18 110.862 -174.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.507 HG21 ' HG3' ' A' ' 59' ' ' ARG . 25.0 t -94.94 -56.65 5.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.849 -0.614 . . . . 1.01 110.226 -178.226 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.85 135.64 22.23 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.635 -0.711 . . . . 0.42 110.8 -176.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.664 HG23 ' HB3' ' A' ' 56' ' ' PHE . 7.5 p -138.1 135.77 44.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.018 0.437 . . . . 0.32 110.808 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -124.26 146.19 50.93 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.96 -0.564 . . . . 0.29 110.374 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.412 ' HA ' HG12 ' A' ' 54' ' ' VAL . 31.8 Cg_endo -66.99 114.73 3.28 Favored 'Trans proline' 0 N--CA 1.46 -0.441 0 C-N-CA 122.212 1.941 . . . . 0.81 112.62 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.559 HE22 ' HB ' ' A' ' 7' ' ' VAL . 10.5 pt20 -109.44 179.05 4.25 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.884 -0.784 . . . . 1.08 108.884 174.159 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.312 -1.022 0 N-CA-C 108.801 -0.815 . . . . 1.64 108.801 -176.671 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo . . . . . 0 C--O 1.236 0.406 0 N-CA-C 113.38 0.492 . . . . 0.95 113.38 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.418 ' CB ' ' HG2' ' A' ' 59' ' ' ARG . 34.6 tt0 -100.96 122.1 42.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.296 -0.866 . . . . 1.13 110.04 -179.591 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -118.3 143.44 46.6 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.249 -0.648 . . . . 0.55 109.249 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.717 ' HG2' ' HB3' ' A' ' 57' ' ' SER . 95.9 mtt180 -95.31 157.2 16.0 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.776 0.322 . . . . 2.51 110.714 177.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -159.71 152.63 21.71 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.842 -0.617 . . . . 0.41 110.89 176.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.465 HG12 ' HA ' ' A' ' 55' ' ' ALA . 27.6 m -121.97 146.02 27.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 116.036 -0.529 . . . . 0.24 109.962 173.039 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.503 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -177.39 -178.15 46.81 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.474 -0.869 . . . . 0.28 112.226 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.507 ' HA ' ' HA ' ' A' ' 53' ' ' ARG . 45.0 ttp180 -106.99 139.51 41.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.039 0.447 . . . . 3.19 110.211 -177.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.547 HD11 ' CG2' ' A' ' 54' ' ' VAL . 29.3 mm -71.87 133.32 32.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.559 -0.746 . . . . 0.23 110.867 -178.103 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.532 ' HB2' ' HB ' ' A' ' 19' ' ' ILE . 13.1 mm100 -89.93 -42.68 11.05 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.798 -0.637 . . . . 1.13 109.859 176.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.0 t -173.07 160.06 4.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.689 -0.687 . . . . 0.75 109.786 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.632 HD11 ' HA ' ' A' ' 49' ' ' LYS . 87.8 mt -109.11 133.38 54.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.168 -0.469 . . . . 0.77 110.314 178.574 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.98 -142.2 12.8 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.624 -0.716 . . . . 1.06 111.872 176.092 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -113.87 -32.79 5.98 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.309 -0.626 . . . . 2.51 109.309 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -137.53 3.31 2.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.526 -0.761 . . . . 3.93 111.199 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.8 p -157.2 160.93 39.2 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.317 -0.623 . . . . 0.94 109.317 172.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.479 ' HB3' ' HA ' ' A' ' 13' ' ' ILE . 0.7 OUTLIER -149.84 151.37 33.41 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.019 0.437 . . . . 1.03 111.522 179.683 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.571 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 18.6 mt -92.8 129.83 42.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.54 -0.755 . . . . 0.56 110.802 -172.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.9 mt -130.19 129.78 65.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.085 0.469 . . . . 0.21 111.346 -178.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.27 93.74 9.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.901 -0.59 . . . . 0.22 109.884 173.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.503 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 24.3 p80 -91.81 155.38 18.27 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.79 -0.641 . . . . 0.27 110.692 -175.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -69.74 -168.95 0.21 Allowed 'General case' 0 C--O 1.241 0.641 0 CA-C-N 116.022 -0.536 . . . . 3.05 111.356 177.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.446 ' HA ' ' H ' ' A' ' 32' ' ' ALA . . . -76.05 73.0 2.92 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.968 -0.56 . . . . 1.5 111.58 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.618 HG22 ' H ' ' A' ' 28' ' ' ALA . 42.5 mt -47.95 102.87 0.33 Allowed Pre-proline 0 C--N 1.32 -0.712 0 O-C-N 124.234 0.959 . . . . 0.63 112.287 176.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -73.22 -18.2 23.74 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.816 2.344 . . . . 0.97 111.374 176.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.3 m -69.91 -41.47 74.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.296 -0.866 . . . . 1.1 111.364 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.618 ' H ' HG22 ' A' ' 25' ' ' ILE . . . -110.95 2.31 18.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.492 -0.322 . . . . 0.89 111.265 -177.448 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 66.31 30.03 9.2 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.809 -0.632 . . . . 2.21 110.657 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.479 ' HB2' ' HB ' ' A' ' 25' ' ' ILE . 44.6 m0 -93.08 110.06 21.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.342 -0.39 . . . . 1.02 110.258 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.66 65.67 4.03 Favored Glycine 0 C--N 1.32 -0.316 0 CA-C-N 115.937 -0.574 . . . . 1.67 113.221 -172.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.446 ' H ' ' HA ' ' A' ' 24' ' ' ALA . . . 55.98 93.2 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.316 0.646 . . . . 0.57 112.502 175.257 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 22.6 ptt? -153.0 149.61 28.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.061 0.458 . . . . 0.84 111.059 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.456 HG23 ' HG3' ' A' ' 11' ' ' GLN . 23.4 m -74.66 110.33 8.86 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.019 -0.991 . . . . 0.75 110.032 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 44.0 tpp -128.6 148.2 50.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.08 -0.509 . . . . 1.6 110.706 -178.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.571 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 35.0 tt0 -94.85 133.37 38.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.799 0.333 . . . . 1.0 110.16 178.555 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -112.5 142.32 45.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.236 -0.438 . . . . 0.37 110.56 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.439 ' HB3' HG23 ' A' ' 67' ' ' THR . . . -80.85 141.96 34.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.427 -0.351 . . . . 0.34 110.761 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.83 141.14 67.91 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.276 -0.42 . . . . 0.6 111.503 -178.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.31 158.88 52.79 Favored 'Trans proline' 0 C--O 1.236 0.4 0 C-N-CA 122.707 2.271 . . . . 1.1 111.533 175.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -63.14 -13.83 37.93 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.778 2.319 . . . . 2.05 112.984 -177.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.58 -14.13 52.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.356 -0.383 . . . . 1.33 111.584 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.44 174.52 35.61 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.913 -0.66 . . . . 0.93 112.186 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -93.9 139.33 22.63 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.905 0.383 . . . . 0.97 111.268 -178.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.637 ' HD2' HD21 ' A' ' 48' ' ' LEU . 57.0 Cg_endo -81.94 -167.18 0.46 Allowed 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 123.106 2.537 . . . . 0.69 111.878 171.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -110.31 158.88 17.94 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.692 -0.686 . . . . 2.12 110.156 176.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.83 11.72 45.83 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.264 -0.493 . . . . 0.63 112.557 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.647 HD23 HG11 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -129.3 46.66 2.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.84 0.352 . . . . 1.06 111.542 -177.879 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.632 ' HA ' HD11 ' A' ' 13' ' ' ILE . 88.0 mttt -95.19 171.24 8.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.104 0.478 . . . . 3.0 111.984 -174.447 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.02 107.66 0.15 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.994 -1.003 . . . . 0.37 111.177 177.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.68 -17.06 18.52 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.76 -0.733 . . . . 0.38 112.537 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.485 ' O ' HG12 ' A' ' 10' ' ' ILE . 11.6 m-20 -85.65 145.36 27.35 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.058 -0.349 . . . . 0.53 110.058 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.507 ' HA ' ' HA ' ' A' ' 9' ' ' ARG . 13.8 ttt180 -108.67 117.69 34.84 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 109.532 -0.544 . . . . 3.26 109.532 175.467 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.792 HG12 ' HA ' ' A' ' 73' ' ' PRO . 3.6 m -116.25 160.68 15.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.839 -0.618 . . . . 0.3 111.327 -174.058 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.465 ' HA ' HG12 ' A' ' 7' ' ' VAL . . . -110.24 118.36 36.14 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.853 -0.795 . . . . 0.16 108.853 175.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.753 ' HB3' HG23 ' A' ' 71' ' ' VAL . 38.2 p90 -136.52 167.23 21.75 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.731 0.641 . . . . 0.36 112.731 -169.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.717 ' HB3' ' HG2' ' A' ' 5' ' ' ARG . 28.0 p -130.11 139.25 50.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.197 -0.91 . . . . 1.08 109.635 173.281 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -138.49 151.74 47.65 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.262 -0.426 . . . . 0.41 110.624 -176.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.617 ' HG3' HG21 ' A' ' 69' ' ' VAL . 56.1 mtt180 -109.32 137.8 46.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.996 0.427 . . . . 3.07 110.895 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.566 HD22 ' HA ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -102.53 145.26 29.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.446 -0.797 . . . . 1.04 110.327 -179.71 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -97.99 169.13 8.88 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 108.806 -0.812 . . . . 1.87 108.806 173.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.7 -12.94 33.87 Favored 'Trans proline' 0 C--N 1.334 -0.208 0 C-N-CA 123.069 2.513 . . . . 1.62 112.993 -178.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -85.55 -26.82 25.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.82 0.343 . . . . 2.43 110.362 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.34 26.48 5.94 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 1.08 112.106 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.8 mmt -95.89 153.18 17.89 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.702 -0.481 . . . . 2.74 109.702 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.566 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -120.77 119.73 33.58 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.943 0.401 . . . . 0.54 110.738 -171.205 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.439 HG23 ' HB3' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -121.01 125.37 47.17 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.997 -0.547 . . . . 0.71 110.903 -178.454 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.419 HD11 ' HB2' ' A' ' 56' ' ' PHE . 58.9 tp -75.47 134.39 40.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.221 -0.445 . . . . 1.18 110.648 -176.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.617 HG21 ' HG3' ' A' ' 59' ' ' ARG . 25.0 t -105.01 -54.78 6.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.992 -0.549 . . . . 1.01 110.478 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -147.12 142.17 27.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.703 -0.68 . . . . 0.42 110.844 -177.611 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.753 HG23 ' HB3' ' A' ' 56' ' ' PHE . 14.8 p -138.32 136.86 44.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.126 0.489 . . . . 0.32 110.201 178.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -120.01 124.77 27.67 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 116.123 -0.49 . . . . 0.29 110.342 177.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.792 ' HA ' HG12 ' A' ' 54' ' ' VAL . 33.5 Cg_exo -59.37 103.2 0.17 Allowed 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.779 2.319 . . . . 0.81 111.781 176.2 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.419 HE22 ' HB ' ' A' ' 7' ' ' VAL . 15.5 pt20 -103.91 178.75 4.47 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.353 -0.84 . . . . 1.08 109.742 -178.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.312 -1.03 0 CA-C-O 121.482 0.658 . . . . 1.64 110.519 -171.901 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.448 ' O ' ' HA ' ' A' ' 59' ' ' ARG . 28.1 Cg_exo . . . . . 0 C--O 1.236 0.377 0 CA-C-O 121.032 0.346 . . . . 0.95 112.463 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.469 ' HA ' ' O ' ' A' ' 58' ' ' PHE . 22.9 tt0 -90.13 130.42 36.29 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.671 -0.695 . . . . 1.13 110.417 179.066 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.454 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 79.9 m-70 -119.72 142.62 48.35 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.471 -0.566 . . . . 0.55 109.471 177.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.532 ' HD3' ' HB3' ' A' ' 57' ' ' SER . 13.8 mmt180 -78.68 138.89 38.5 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.292 -0.262 . . . . 2.51 110.292 176.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.65 133.9 17.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.203 0.525 . . . . 0.41 111.408 -178.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.493 ' HB ' HE22 ' A' ' 74' ' ' GLN . 31.2 m -122.41 152.46 26.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 109.599 -0.519 . . . . 0.24 109.599 175.063 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.633 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -178.29 -166.25 34.31 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 119.821 -1.18 . . . . 0.28 113.498 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -118.26 128.89 55.11 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.173 -0.677 . . . . 3.19 109.173 -176.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.631 HD11 HG21 ' A' ' 54' ' ' VAL . 41.7 mm -66.09 130.63 31.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.813 0.34 . . . . 0.23 110.53 -176.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.5 ' HG2' HG21 ' A' ' 34' ' ' THR . 3.5 tp-100 -92.34 -52.14 4.81 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.771 -0.65 . . . . 1.13 109.527 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.4 m -160.77 150.19 17.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.858 -0.61 . . . . 0.75 109.828 176.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.704 HD11 ' HA ' ' A' ' 49' ' ' LYS . 72.4 mt -98.51 142.39 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 0.77 110.879 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' A' ' 17' ' ' SER . . . -105.82 -139.07 9.49 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.844 -0.616 . . . . 1.06 112.365 178.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -104.08 -44.43 5.0 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.888 0.851 . . . . 2.51 108.956 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.42 12.68 1.19 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.293 -1.322 . . . . 3.93 109.527 -178.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.419 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 35.8 p -154.85 154.23 32.4 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.075 -1.084 . . . . 0.94 108.075 173.031 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.841 HD21 ' HG ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -151.86 152.86 33.15 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 120.98 0.419 . . . . 1.03 111.327 -177.59 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.633 HG22 HG22 ' A' ' 34' ' ' THR . 14.0 mt -93.59 131.27 41.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.356 -0.838 . . . . 0.56 110.077 -174.54 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 68.3 mt -131.42 128.97 61.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.011 0.434 . . . . 0.21 111.29 -177.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.625 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -77.69 90.67 4.0 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.969 -0.752 . . . . 0.22 108.969 169.655 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.633 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 24.4 p80 -87.67 157.59 19.05 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.02 -0.536 . . . . 0.27 110.863 -178.242 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -63.71 -169.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.473 -0.785 . . . . 3.05 111.433 175.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.608 ' HA ' ' H ' ' A' ' 32' ' ' ALA . . . -58.24 -49.74 76.04 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.882 -0.599 . . . . 1.5 111.815 -176.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.415 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 31.0 mt 73.67 87.27 0.09 OUTLIER Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.858 -0.61 . . . . 0.63 110.581 -177.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.7 -23.06 63.63 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.929 2.419 . . . . 0.97 112.502 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.454 ' HB3' ' HB3' ' A' ' 4' ' ' HIS . 8.0 t -76.85 -12.73 60.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.831 0.348 . . . . 1.1 110.885 -178.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.54 -9.2 8.49 Favored 'General case' 0 C--N 1.33 -0.283 0 C-N-CA 121.103 -0.239 . . . . 0.89 111.236 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 66.72 30.96 7.85 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.941 -0.572 . . . . 2.21 111.176 178.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.413 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 46.4 m0 -88.6 174.07 8.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.979 -0.555 . . . . 1.02 110.094 178.03 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.64 48.5 0.97 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.549 -0.834 . . . . 1.67 113.199 -174.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.608 ' H ' ' HA ' ' A' ' 24' ' ' ALA . . . 59.39 92.43 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.458 0.54 . . . . 0.57 112.458 174.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 20.9 ptt? -146.79 152.94 39.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.278 -0.419 . . . . 0.84 110.908 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.633 HG22 HG22 ' A' ' 19' ' ' ILE . 13.9 m -75.17 108.78 8.15 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.615 -0.72 . . . . 0.75 110.823 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.7 mmm -126.48 156.31 40.9 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.095 -0.502 . . . . 1.6 111.155 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.576 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 72.4 tt0 -97.41 141.54 30.36 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.41 -178.221 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -120.63 131.87 54.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.306 -0.406 . . . . 0.37 109.991 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.54 128.72 37.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.317 -0.401 . . . . 0.34 110.768 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.67 165.81 13.99 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.346 -0.388 . . . . 0.6 110.537 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 31.6 Cg_exo -60.17 152.46 65.8 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.195 1.93 . . . . 1.1 111.178 171.307 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 40' ' ' PRO . 51.5 Cg_exo -55.42 -15.57 11.94 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 123.131 2.554 . . . . 2.05 113.299 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.93 -39.15 73.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 1.33 111.262 174.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.31 174.23 20.49 Favored Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.785 -0.722 . . . . 0.93 112.059 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.841 ' HG ' HD21 ' A' ' 18' ' ' LEU . 3.7 mm? -92.0 156.38 42.35 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-O 120.765 0.317 . . . . 0.97 111.047 -178.255 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -74.69 -163.57 0.19 Allowed 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.794 2.329 . . . . 0.69 112.033 172.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.88 148.3 42.27 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.257 -0.883 . . . . 2.12 110.494 -178.487 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.76 18.04 12.28 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 111.579 -0.608 . . . . 0.63 111.579 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.682 ' HB3' HG11 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -134.31 55.52 1.89 Allowed 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.053 0.454 . . . . 1.06 111.208 -177.156 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.704 ' HA ' HD11 ' A' ' 13' ' ' ILE . 7.1 ptpp? -94.27 168.7 10.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.302 -0.408 . . . . 3.0 110.099 -174.314 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.4 106.8 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.414 0.446 . . . . 0.37 110.69 176.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.61 -16.0 12.63 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.928 -0.654 . . . . 0.38 112.877 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.582 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 17.4 m-20 -80.34 156.2 26.85 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 117.313 0.556 . . . . 0.53 111.026 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.3 ttt85 -110.17 120.43 42.43 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.75 -0.659 . . . . 3.26 109.414 174.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.682 HG11 ' HB3' ' A' ' 48' ' ' LEU . 13.2 m -125.63 156.82 35.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.823 -0.626 . . . . 0.3 111.073 -176.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.413 ' HA ' HG12 ' A' ' 7' ' ' VAL . . . -114.46 124.8 52.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.671 -0.695 . . . . 0.16 109.189 175.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.445 ' HA ' ' O ' ' A' ' 70' ' ' THR . 11.0 p90 -140.66 178.44 7.33 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.217 0.532 . . . . 0.36 111.759 -174.361 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.602 ' C ' HG22 ' A' ' 69' ' ' VAL . 1.3 p -134.67 -178.78 5.23 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 108.621 -0.881 . . . . 1.08 108.621 166.508 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.469 ' O ' ' HA ' ' A' ' 3' ' ' GLU . 33.4 p90 -170.46 158.56 6.51 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.957 -0.386 . . . . 0.41 109.957 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.448 ' HA ' ' O ' ' A' ' 2' ' ' PRO . 28.6 mtm-85 -110.87 134.15 52.78 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.889 -0.411 . . . . 3.07 109.889 178.165 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 60' ' ' LEU . 10.1 mt -93.03 113.07 25.23 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.959 -0.386 . . . . 1.04 109.959 174.225 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -83.01 164.24 47.26 Favored Pre-proline 0 C--N 1.315 -0.907 0 CA-C-N 115.919 -0.582 . . . . 1.87 109.496 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -71.07 0.93 5.86 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.899 2.399 . . . . 1.62 112.527 -172.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -101.12 -4.55 27.1 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.049 -0.523 . . . . 2.43 110.499 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.29 32.81 15.69 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 110.922 -0.871 . . . . 1.08 110.922 -177.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 24.6 mmt -95.6 141.89 28.56 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.788 -0.449 . . . . 2.74 109.788 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -110.94 97.01 6.5 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.49 -0.929 . . . . 0.54 108.49 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.8 m -105.86 112.53 25.63 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.514 -0.766 . . . . 0.71 110.806 -171.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.401 HD12 ' O ' ' A' ' 57' ' ' SER . 25.7 tp -65.71 139.94 58.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.391 -0.822 . . . . 1.18 110.109 -176.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.602 HG22 ' C ' ' A' ' 57' ' ' SER . 13.6 m -109.43 -59.07 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 CA-C-N 116.473 -0.331 . . . . 1.01 111.217 -178.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.598 ' H ' HG23 ' A' ' 69' ' ' VAL . 1.7 p -146.63 131.55 18.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.668 -0.242 . . . . 0.42 110.471 177.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.3 p -128.27 133.22 67.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 O-C-N 123.522 0.513 . . . . 0.32 109.748 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -131.48 134.21 25.32 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 116.405 -0.362 . . . . 0.29 110.598 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.574 ' HA ' HG12 ' A' ' 54' ' ' VAL . 54.1 Cg_exo -53.73 123.43 13.38 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.928 2.418 . . . . 0.81 111.816 176.375 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.493 HE22 ' HB ' ' A' ' 7' ' ' VAL . 10.7 pt20 -123.24 177.56 5.52 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.232 -0.44 . . . . 1.08 110.244 -177.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.0 t . . . . . 0 C--N 1.32 -0.682 0 N-CA-C 108.851 -0.796 . . . . 1.64 108.851 -174.787 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo . . . . . 0 C--O 1.235 0.371 0 CA-C-O 121.009 0.337 . . . . 0.95 112.583 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -90.89 131.75 36.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.678 -0.692 . . . . 1.13 109.969 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.411 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 80.0 m-70 -127.91 150.73 49.75 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.326 -0.62 . . . . 0.55 109.326 -179.478 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.568 ' HG2' ' HB3' ' A' ' 57' ' ' SER . 78.2 mtt180 -104.99 151.72 23.59 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.958 -0.297 . . . . 2.51 110.736 176.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.482 ' CB ' HG12 ' A' ' 25' ' ' ILE . . . -156.56 152.23 27.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.713 -0.676 . . . . 0.41 110.007 177.602 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.613 ' O ' ' HG3' ' A' ' 23' ' ' GLU . 30.1 m -122.12 158.58 25.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 120.97 0.414 . . . . 0.24 110.355 174.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 172.78 -146.38 9.06 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.116 -1.04 . . . . 0.28 112.53 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.445 ' HA ' ' HA ' ' A' ' 53' ' ' ARG . 11.4 ttm180 -129.6 137.85 50.93 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.695 -0.483 . . . . 3.19 109.695 -175.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.698 HD11 HG21 ' A' ' 54' ' ' VAL . 50.7 mm -69.01 117.72 12.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 109.744 -0.465 . . . . 0.23 109.744 177.5 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.502 ' HG2' HG21 ' A' ' 34' ' ' THR . 53.1 tp60 -83.75 -50.05 8.51 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.98 -0.554 . . . . 1.13 109.542 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.1 m -161.02 141.8 11.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.908 -0.587 . . . . 0.75 110.667 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.505 HG23 HD22 ' A' ' 18' ' ' LEU . 57.8 mt -90.77 131.39 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.334 -0.617 . . . . 0.77 109.334 171.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.91 -161.68 17.64 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.278 -0.487 . . . . 1.06 113.005 -176.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.815 ' HG3' ' HG3' ' A' ' 16' ' ' ARG . 9.3 pt-20 -69.09 -43.62 74.15 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 122.761 0.424 . . . . 2.51 112.05 -176.316 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.815 ' HG3' ' HG3' ' A' ' 15' ' ' GLU . 3.0 ppt_? -143.46 17.42 1.86 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.331 0.586 . . . . 3.93 110.269 -177.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.635 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 3.0 p -158.36 166.41 32.35 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 115.156 -0.929 . . . . 0.94 109.039 -175.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.556 HD21 ' HG ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -133.61 131.43 39.62 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 109.111 -0.7 . . . . 1.03 109.111 171.714 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.839 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 4.3 mp -78.27 124.56 36.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 108.526 -0.916 . . . . 0.56 108.526 177.225 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 69.2 mt -126.41 123.64 63.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.826 0.346 . . . . 0.21 111.276 -174.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.747 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -71.37 95.42 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.442 -0.577 . . . . 0.22 109.442 170.205 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.0 p80 -101.67 155.31 18.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.272 -0.422 . . . . 0.27 110.826 -176.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.613 ' HG3' ' O ' ' A' ' 7' ' ' VAL . 1.8 pp20? -70.08 -165.15 0.09 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.41 -0.814 . . . . 3.05 111.194 174.44 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.58 -15.58 62.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.915 0.709 . . . . 1.5 112.915 -171.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.482 HG12 ' CB ' ' A' ' 6' ' ' ALA . 42.5 mt 63.26 85.61 0.16 Allowed Pre-proline 0 C--N 1.322 -0.598 0 CA-C-O 121.074 0.464 . . . . 0.63 110.668 178.445 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -68.19 -9.07 24.67 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.433 2.089 . . . . 0.97 112.247 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.411 ' HB2' ' HB3' ' A' ' 4' ' ' HIS . 15.0 m -87.79 -20.21 26.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.132 -0.486 . . . . 1.1 111.331 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.92 -4.81 8.02 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.234 0.457 . . . . 0.89 112.234 -176.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 58.02 63.57 1.74 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.483 0.658 . . . . 2.21 110.475 -178.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.467 ' CZ2' HD11 ' A' ' 60' ' ' LEU . 18.7 m0 -116.08 176.41 5.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.094 -0.957 . . . . 1.02 110.416 -177.57 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.447 ' O ' ' HG2' ' A' ' 33' ' ' MET . . . -101.25 159.16 18.77 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.345 -0.931 . . . . 1.67 111.336 170.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.66 126.62 30.16 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.985 -0.376 . . . . 0.57 109.985 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.447 ' HG2' ' O ' ' A' ' 31' ' ' GLY . 4.5 ptt? -171.64 152.3 3.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.081 -0.509 . . . . 0.84 111.256 -174.342 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.747 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 22.6 m -82.02 107.79 15.0 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.307 -0.86 . . . . 0.75 109.915 177.59 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 41.6 ttm -131.54 147.5 52.54 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.211 -0.449 . . . . 1.6 111.126 -178.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.839 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 40.5 tt0 -76.75 138.73 40.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.33 -0.85 . . . . 1.0 111.564 -179.144 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -119.57 128.23 53.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.881 -0.6 . . . . 0.37 109.695 173.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.635 ' HA ' ' HB3' ' A' ' 17' ' ' SER . . . -76.75 144.96 38.9 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.904 -0.589 . . . . 0.34 110.596 -175.265 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.63 147.17 34.61 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-O 120.525 0.202 . . . . 0.6 110.956 -177.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 68' ' ' LEU . 50.0 Cg_endo -69.81 159.09 54.66 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.456 2.104 . . . . 1.1 111.006 173.613 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -57.19 -21.83 45.21 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.801 2.334 . . . . 2.05 112.502 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.91 -41.08 91.88 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.98 -0.554 . . . . 1.33 111.531 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.95 178.93 17.82 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.978 -0.63 . . . . 0.93 112.075 -178.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.556 ' HG ' HD21 ' A' ' 18' ' ' LEU . 2.4 mm? -103.07 148.55 35.79 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 120.502 0.192 . . . . 0.97 110.555 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.615 ' HD2' HD21 ' A' ' 48' ' ' LEU . 13.0 Cg_exo -70.63 -163.19 0.11 Allowed 'Trans proline' 0 CA--C 1.528 0.182 0 C-N-CA 123.242 2.628 . . . . 0.69 112.006 172.406 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -113.44 154.86 26.3 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.967 -0.56 . . . . 2.12 110.114 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.13 27.45 20.91 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.656 -0.783 . . . . 0.63 112.348 175.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.615 HD21 ' HD2' ' A' ' 45' ' ' PRO . 1.2 pp -139.32 45.68 1.95 Allowed 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 120.945 0.403 . . . . 1.06 111.527 -177.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -97.08 173.41 7.27 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.899 -0.32 . . . . 3.0 110.326 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.07 115.07 0.9 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.207 0.527 . . . . 0.37 111.767 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.81 -21.63 12.31 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 115.69 -0.686 . . . . 0.38 112.606 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -79.34 138.34 37.66 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 121.012 0.434 . . . . 0.53 110.53 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.445 ' HA ' ' HA ' ' A' ' 9' ' ' ARG . 34.6 mtt180 -92.46 124.24 36.36 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 108.569 -0.9 . . . . 3.26 108.569 171.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.698 HG21 HD11 ' A' ' 10' ' ' ILE . 15.6 m -126.36 151.22 32.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-O 121.132 0.491 . . . . 0.3 111.758 -176.069 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.464 ' HA ' HG12 ' A' ' 7' ' ' VAL . . . -109.45 122.53 47.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.169 -0.923 . . . . 0.16 108.684 173.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.68 ' HB3' HG23 ' A' ' 71' ' ' VAL . 51.2 p90 -140.67 170.24 16.13 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.061 0.763 . . . . 0.36 113.061 -168.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.568 ' HB3' ' HG2' ' A' ' 5' ' ' ARG . 36.6 p -132.81 144.76 50.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.863 -1.062 . . . . 1.08 109.498 173.469 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.512 ' HA ' HG23 ' A' ' 69' ' ' VAL . 42.7 p90 -142.85 157.15 44.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.674 0.273 . . . . 0.41 110.793 -176.258 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.412 ' HG3' ' CG2' ' A' ' 69' ' ' VAL . 57.8 mtm-85 -107.97 139.63 42.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.311 -0.404 . . . . 3.07 110.166 177.141 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.467 HD11 ' CZ2' ' A' ' 30' ' ' TRP . 13.3 mt -103.79 121.83 43.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.592 -0.277 . . . . 1.04 111.532 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.408 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 21.8 m-20 -82.76 164.24 47.8 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.14 -0.689 . . . . 1.87 109.14 174.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.408 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 6.7 Cg_exo -73.44 1.79 6.42 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 123.093 2.529 . . . . 1.62 111.956 -176.543 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -94.6 -14.83 24.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.682 -0.69 . . . . 2.43 109.685 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.95 26.38 10.45 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 110.893 -0.883 . . . . 1.08 110.893 -173.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 87.0 mmm -98.8 137.87 36.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.526 -0.337 . . . . 2.74 110.111 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -117.7 104.47 11.02 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.897 -0.592 . . . . 0.54 109.469 -176.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.89 122.35 45.6 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.021 -0.536 . . . . 0.71 110.587 -176.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.42 HD11 ' HB2' ' A' ' 56' ' ' PHE . 60.5 tp -68.98 126.45 29.83 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.002 -0.999 . . . . 1.18 110.725 -177.106 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.512 HG23 ' HA ' ' A' ' 58' ' ' PHE . 39.0 t -91.47 -58.36 3.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.114 -0.494 . . . . 1.01 110.116 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.0 p -146.67 147.22 30.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.398 -0.819 . . . . 0.42 109.935 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.68 HG23 ' HB3' ' A' ' 56' ' ' PHE . 7.9 p -144.96 134.45 18.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.889 0.376 . . . . 0.32 110.357 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -128.64 137.39 30.84 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.076 -0.511 . . . . 0.29 110.298 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.401 ' HA ' HG12 ' A' ' 54' ' ' VAL . 20.1 Cg_endo -60.52 132.18 41.98 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.698 2.266 . . . . 0.81 112.191 179.261 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.479 ' OE1' ' HB ' ' A' ' 7' ' ' VAL . 0.7 OUTLIER -127.22 178.49 6.0 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.584 -0.734 . . . . 1.08 110.121 -177.776 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.2 t . . . . . 0 C--N 1.32 -0.676 0 N-CA-C 108.037 -1.097 . . . . 1.64 108.037 -174.348 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo . . . . . 0 C--O 1.234 0.31 0 CA-C-O 121.188 0.412 . . . . 0.95 112.719 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -105.47 116.49 32.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.512 -0.767 . . . . 1.13 109.96 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 64.7 m-70 -113.29 165.3 12.56 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.431 -0.581 . . . . 0.55 109.431 -179.068 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.512 ' HA ' ' HA ' ' A' ' 57' ' ' SER . 96.9 mtt180 -108.27 155.96 19.9 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.818 0.342 . . . . 2.51 110.724 177.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.406 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . . . -155.25 148.55 24.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.018 -0.537 . . . . 0.41 110.826 177.6 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.437 ' HB ' HE22 ' A' ' 74' ' ' GLN . 26.9 m -118.84 152.46 21.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.036 -0.529 . . . . 0.24 109.719 173.354 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.448 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 178.4 -157.99 22.28 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 119.846 -1.168 . . . . 0.28 113.255 178.225 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.434 ' HA ' ' HD3' ' A' ' 53' ' ' ARG . 14.8 ttm-85 -118.25 132.91 56.28 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.787 -0.449 . . . . 3.19 109.787 -176.565 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.664 HD11 HG21 ' A' ' 54' ' ' VAL . 52.0 mm -68.44 121.35 17.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 C-N-CA 120.506 -0.478 . . . . 0.23 109.723 176.539 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -87.67 -50.54 6.43 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.978 -0.555 . . . . 1.13 109.684 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.9 m -161.35 149.67 15.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.169 -0.469 . . . . 0.75 109.909 175.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.717 HG23 HD22 ' A' ' 18' ' ' LEU . 65.6 mt -95.46 127.82 47.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.877 0.37 . . . . 0.77 110.152 175.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -99.8 -155.07 28.14 Favored Glycine 0 CA--C 1.511 -0.161 0 CA-C-N 116.055 -0.521 . . . . 1.06 113.177 -176.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -76.52 -46.34 26.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.385 0.612 . . . . 2.51 110.187 -178.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.16 14.28 1.85 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.208 -0.906 . . . . 3.93 110.307 178.646 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.869 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 5.5 p -154.85 146.75 23.49 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.872 -0.603 . . . . 0.94 109.663 -179.274 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.717 HD22 HG23 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -121.71 136.41 54.94 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 109.368 -0.604 . . . . 1.03 109.368 -178.596 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.746 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 17.5 mt -82.0 129.98 36.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 108.683 -0.858 . . . . 0.56 108.683 177.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.1 mt -129.64 127.18 64.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.222 -0.445 . . . . 0.21 110.832 -175.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.48 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -77.46 91.13 3.88 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.159 -0.682 . . . . 0.22 109.159 171.111 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.448 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 26.4 p80 -89.48 155.08 19.53 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.961 -0.563 . . . . 0.27 110.242 -178.444 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.39 -165.16 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.973 -0.558 . . . . 3.05 111.505 178.146 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.611 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -58.62 -47.82 83.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.795 -0.639 . . . . 1.5 111.666 -176.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.504 HG22 ' H ' ' A' ' 28' ' ' ALA . 20.0 mt 74.41 91.41 0.06 OUTLIER Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.83 -0.623 . . . . 0.63 110.855 -177.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.65 -2.42 12.64 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.647 2.231 . . . . 0.97 111.137 175.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.424 ' HB3' ' HB3' ' A' ' 4' ' ' HIS . 4.7 m -78.56 -29.15 46.16 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.087 -0.961 . . . . 1.1 110.613 178.413 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.504 ' H ' HG22 ' A' ' 25' ' ' ILE . . . -123.17 -4.12 8.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.89 111.226 -178.457 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 65.16 51.3 1.67 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.383 0.611 . . . . 2.21 111.353 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 49.3 m0 -104.79 174.47 5.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.519 -0.764 . . . . 1.02 110.053 175.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -122.2 41.58 1.81 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.7 -0.762 . . . . 1.67 113.188 -176.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.611 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 69.52 112.38 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.527 0.68 . . . . 0.57 111.853 175.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 24.5 ptp -157.03 151.66 25.56 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.902 -0.59 . . . . 0.84 110.47 -176.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.48 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 32.7 m -88.62 106.52 18.37 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.911 -0.586 . . . . 0.75 110.259 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 77.7 mtp -120.15 163.12 18.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.528 -0.76 . . . . 1.6 111.335 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.746 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 35.3 tt0 -99.54 133.3 44.06 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.25 178.414 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -112.62 120.74 42.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.727 0.298 . . . . 0.37 110.414 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.869 ' HA ' ' HB3' ' A' ' 17' ' ' SER . . . -76.28 136.6 39.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.924 -0.58 . . . . 0.34 110.646 -178.346 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.84 153.53 37.68 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.553 -0.294 . . . . 0.6 110.394 -177.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 26.0 Cg_endo -62.96 151.09 86.39 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.159 1.906 . . . . 1.1 110.675 171.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 40' ' ' PRO . 38.9 Cg_exo -57.87 -11.95 10.89 Favored 'Trans proline' 0 N--CA 1.474 0.341 0 C-N-CA 123.086 2.524 . . . . 2.05 112.515 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.81 -26.87 67.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.768 -0.651 . . . . 1.33 111.03 176.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 99.85 171.53 30.16 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.994 -0.622 . . . . 0.93 113.355 174.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.502 ' HG ' HD11 ' A' ' 18' ' ' LEU . 2.9 mm? -96.92 150.26 36.66 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 120.904 0.383 . . . . 0.97 111.062 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.726 ' HD2' HD21 ' A' ' 48' ' ' LEU . 6.0 Cg_exo -73.79 -165.41 0.25 Allowed 'Trans proline' 0 CA--C 1.52 -0.221 0 C-N-CA 123.627 2.884 . . . . 0.69 111.801 170.387 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.21 154.06 23.9 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.397 -0.82 . . . . 2.12 110.11 179.21 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.16 20.49 20.52 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.765 -0.731 . . . . 0.63 111.961 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.726 HD21 ' HD2' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -136.87 47.47 2.14 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.876 0.37 . . . . 1.06 111.699 -177.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.575 ' HG2' ' OD2' ' A' ' 52' ' ' ASP . 9.8 ptpp? -95.61 169.21 10.19 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.608 -0.516 . . . . 3.0 109.608 -177.037 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.24 113.93 1.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.83 0.347 . . . . 0.37 110.727 178.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.56 -23.22 10.44 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.918 -0.658 . . . . 0.38 112.497 -177.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.575 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 8.7 m-20 -74.14 155.09 38.79 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 121.645 0.735 . . . . 0.53 110.902 -177.745 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.434 ' HD3' ' HA ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -110.69 116.61 31.61 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.109 -0.95 . . . . 3.26 108.474 174.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.664 HG21 HD11 ' A' ' 10' ' ' ILE . 15.6 m -124.19 150.42 28.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-O 121.046 0.451 . . . . 0.3 111.442 -174.48 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.31 120.23 41.9 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.588 -0.893 . . . . 0.16 108.588 174.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.532 ' HB3' HG23 ' A' ' 71' ' ' VAL . 47.7 p90 -139.19 171.71 13.89 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.799 0.666 . . . . 0.36 112.799 -169.455 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.512 ' HA ' ' HA ' ' A' ' 5' ' ' ARG . 44.5 p -126.01 147.67 49.48 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.842 -1.072 . . . . 1.08 109.318 175.179 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.467 ' HA ' HG23 ' A' ' 69' ' ' VAL . 30.3 p90 -147.56 155.39 41.79 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.66 0.266 . . . . 0.41 110.827 -177.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -104.38 160.64 14.74 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.944 -0.391 . . . . 3.07 109.944 175.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.456 ' HA ' ' O ' ' A' ' 65' ' ' MET . 18.2 mt -125.53 114.41 18.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.942 -0.572 . . . . 1.04 110.656 173.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.712 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 59.9 m-20 -79.97 164.66 51.74 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 108.607 -0.886 . . . . 1.87 108.607 176.143 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.417 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 16.9 Cg_exo -67.85 0.97 3.67 Favored 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 122.898 2.399 . . . . 1.62 113.524 -170.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -105.25 -8.25 18.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.215 0.531 . . . . 2.43 110.562 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.09 31.45 7.27 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.498 -0.774 . . . . 1.08 111.281 -175.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.712 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 82.7 mmm -87.81 124.12 33.3 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.92 -0.4 . . . . 2.74 109.92 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -106.61 107.2 18.1 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.947 -0.569 . . . . 0.54 109.628 -175.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.1 120.74 43.44 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.088 -0.505 . . . . 0.71 110.873 -175.617 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.33 116.67 14.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.773 -0.649 . . . . 1.18 109.367 -178.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.467 HG23 ' HA ' ' A' ' 58' ' ' PHE . 24.0 t -88.21 -66.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.03 0.443 . . . . 1.01 110.436 -177.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.4 p -138.0 143.54 40.67 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.029 -0.532 . . . . 0.42 109.94 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.532 HG23 ' HB3' ' A' ' 56' ' ' PHE . 7.3 p -135.81 129.97 48.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.057 0.456 . . . . 0.32 110.232 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -118.44 139.06 26.4 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 116.11 -0.495 . . . . 0.29 110.23 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -64.06 107.7 0.83 Allowed 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.539 2.16 . . . . 0.81 112.374 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.437 HE22 ' HB ' ' A' ' 7' ' ' VAL . 8.8 pt20 -99.94 178.56 4.77 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.502 -0.925 . . . . 1.08 108.502 174.142 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.8 p . . . . . 0 C--N 1.308 -1.199 0 CA-C-O 121.735 0.778 . . . . 1.64 109.555 -176.408 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo . . . . . 0 C--O 1.233 0.247 0 CA-C-O 121.247 0.436 . . . . 0.95 112.892 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -90.86 129.73 36.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.462 -0.79 . . . . 1.13 110.289 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.448 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 89.1 m-70 -125.88 141.66 51.88 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.569 -0.287 . . . . 0.55 110.573 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.67 ' HD3' ' OG ' ' A' ' 57' ' ' SER . 46.5 mmt-85 -67.99 145.15 54.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.853 -0.612 . . . . 2.51 110.298 177.624 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -153.47 136.7 15.67 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 120.728 0.299 . . . . 0.41 110.685 175.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.0 m -120.11 152.26 22.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.703 -0.48 . . . . 0.24 109.703 175.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.65 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 178.77 -170.67 42.66 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.331 -0.938 . . . . 0.28 112.544 179.283 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.4 ttt-85 -116.07 130.52 56.85 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.64 -0.504 . . . . 3.19 109.64 -177.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.527 HD11 HG21 ' A' ' 54' ' ' VAL . 31.0 mm -62.86 134.12 28.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.173 -0.467 . . . . 0.23 110.652 -177.041 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -99.18 -47.1 5.32 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.0 -0.545 . . . . 1.13 109.831 -178.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.0 m -161.67 151.28 16.5 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.438 -0.578 . . . . 0.75 109.438 176.261 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.771 HD11 ' HA ' ' A' ' 49' ' ' LYS . 52.5 mt -101.27 137.1 30.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.21 0.528 . . . . 0.77 111.318 178.401 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.707 ' H ' ' HB3' ' A' ' 18' ' ' LEU . . . -126.64 160.98 21.01 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.999 -0.84 . . . . 1.06 110.999 173.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -62.73 -40.14 96.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.012 0.434 . . . . 2.51 111.944 -175.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.95 -12.64 8.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.275 -0.421 . . . . 3.93 111.706 -176.476 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.453 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 1.9 p -157.05 141.42 16.55 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.217 -0.447 . . . . 0.94 110.036 178.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.707 ' HB3' ' H ' ' A' ' 14' ' ' GLY . 0.5 OUTLIER -139.27 139.64 37.43 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.025 0.441 . . . . 1.03 110.833 -177.581 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.878 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 15.7 mt -85.05 130.59 35.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.949 -0.569 . . . . 0.56 110.236 -174.686 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.9 mt -130.04 122.51 54.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.107 -0.497 . . . . 0.21 110.536 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.614 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -74.33 90.9 2.16 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.35 -0.611 . . . . 0.22 109.35 173.239 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.65 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 26.6 p80 -87.02 155.66 20.07 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.853 -0.612 . . . . 0.27 110.326 -178.448 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -66.55 -166.35 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.892 -0.594 . . . . 3.05 110.953 177.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.589 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -60.01 -45.47 92.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.981 -0.554 . . . . 1.5 111.242 -179.634 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.544 HG22 ' H ' ' A' ' 28' ' ' ALA . 44.9 mt 74.09 94.21 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.015 -0.539 . . . . 0.63 111.091 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.78 -17.4 29.29 Favored 'Trans proline' 0 CA--C 1.527 0.17 0 C-N-CA 122.431 2.088 . . . . 0.97 111.797 178.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.448 ' CB ' ' HB3' ' A' ' 4' ' ' HIS . 14.6 m -72.29 -29.68 64.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.712 -0.676 . . . . 1.1 111.028 -179.285 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.544 ' H ' HG22 ' A' ' 25' ' ' ILE . . . -114.02 -1.37 13.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.33 -0.396 . . . . 0.89 110.627 -179.543 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 59.46 35.44 22.9 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.37 -0.832 . . . . 2.21 111.302 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 47.4 m0 -89.2 173.74 8.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.039 -0.528 . . . . 1.02 110.605 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.32 35.52 3.6 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.701 -0.762 . . . . 1.67 113.232 -176.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.589 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 69.43 127.3 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.281 0.632 . . . . 0.57 112.448 176.159 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 15.0 ptt? -171.82 147.96 2.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.658 -0.701 . . . . 0.84 110.346 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.614 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 6.7 m -78.51 102.23 7.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.03 -0.532 . . . . 0.75 109.893 179.374 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 37.9 ttm -123.72 143.9 50.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.364 -0.38 . . . . 1.6 111.352 -174.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.878 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 45.0 tt0 -83.94 133.32 34.71 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.552 -0.749 . . . . 1.0 110.745 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -110.7 145.35 38.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.237 -0.438 . . . . 0.37 110.118 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.638 ' HB3' HG23 ' A' ' 67' ' ' THR . . . -82.68 142.5 31.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.518 -0.31 . . . . 0.34 110.201 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.75 142.51 98.2 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.561 -0.29 . . . . 0.6 111.148 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.19 153.53 52.14 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.717 2.278 . . . . 1.1 111.529 176.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -61.87 -16.12 47.3 Favored 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 122.807 2.338 . . . . 2.05 112.785 -177.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.97 -15.89 31.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.239 -0.437 . . . . 1.33 111.021 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 112.91 -172.55 14.58 Favored Glycine 0 N--CA 1.44 -1.057 0 C-N-CA 120.9 -0.667 . . . . 0.93 111.629 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.1 mt -109.03 137.3 20.1 Favored Pre-proline 0 C--N 1.314 -0.937 0 CA-C-O 121.085 0.469 . . . . 0.97 111.335 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.636 ' HD2' HD21 ' A' ' 48' ' ' LEU . 71.7 Cg_endo -85.47 -166.61 0.35 Allowed 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 123.444 2.763 . . . . 0.69 111.787 173.473 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.47 146.15 43.7 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.45 -0.796 . . . . 2.12 110.183 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.87 15.43 9.29 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.941 -0.647 . . . . 0.63 111.707 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.636 HD21 ' HD2' ' A' ' 45' ' ' PRO . 0.4 OUTLIER -134.05 45.65 2.6 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 111.693 0.256 . . . . 1.06 111.693 -175.794 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.771 ' HA ' HD11 ' A' ' 13' ' ' ILE . 18.6 ptpt -95.61 164.23 12.87 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.304 -0.559 . . . . 3.0 111.134 -175.572 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.87 110.08 0.32 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.582 -0.735 . . . . 0.37 111.848 -177.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.63 -9.69 12.81 Favored Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.572 -0.823 . . . . 0.38 112.736 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -93.65 157.94 15.93 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 121.09 0.472 . . . . 0.53 111.1 177.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 53' ' ' ARG . 15.9 ttt180 -108.89 127.76 54.32 Favored 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 108.677 -0.861 . . . . 3.26 108.677 171.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.572 ' HA ' ' H ' ' A' ' 74' ' ' GLN . 10.7 m -130.15 154.55 40.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.421 -0.354 . . . . 0.3 110.619 -177.099 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.469 ' HB2' ' HG3' ' A' ' 74' ' ' GLN . . . -108.32 122.36 46.81 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.922 -0.77 . . . . 0.16 108.922 175.162 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.687 ' HB3' HG23 ' A' ' 71' ' ' VAL . 47.0 p90 -142.1 -177.06 5.05 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.542 -0.299 . . . . 0.36 110.958 -172.093 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.67 ' OG ' ' HD3' ' A' ' 5' ' ' ARG . 28.8 m -139.36 -176.91 4.69 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 109.229 -0.656 . . . . 1.08 109.229 167.391 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -162.28 158.16 23.86 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 120.709 0.29 . . . . 0.41 110.237 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.401 ' HG3' ' CG1' ' A' ' 69' ' ' VAL . 40.4 mtm180 -105.73 139.49 40.23 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.67 -0.863 . . . . 3.07 108.67 172.109 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 60' ' ' LEU . 11.4 mt -89.5 115.97 27.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.175 0.512 . . . . 1.04 110.648 178.501 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 1.009 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 1.4 m-20 -86.55 164.43 37.63 Favored Pre-proline 0 C--N 1.315 -0.916 0 CA-C-N 115.419 -0.81 . . . . 1.87 108.941 178.025 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.449 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 35.1 Cg_exo -59.99 -18.83 52.5 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 123.214 2.609 . . . . 1.62 114.589 -165.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.484 ' HB2' ' SD ' ' A' ' 65' ' ' MET . 12.3 m-70 -90.67 -1.6 57.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.928 0.394 . . . . 2.43 111.605 -178.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.51 28.62 21.52 Favored Glycine 0 C--N 1.314 -0.678 0 N-CA-C 109.524 -1.43 . . . . 1.08 109.524 -171.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' MET . . . . . 1.009 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 44.5 mtp -84.04 144.86 28.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.424 -0.888 . . . . 2.74 109.506 -177.312 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -119.37 97.99 5.93 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.265 -0.643 . . . . 0.54 109.265 -175.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.638 HG23 ' HB3' ' A' ' 38' ' ' ALA . 2.9 m -98.61 118.58 35.64 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 115.381 -0.827 . . . . 0.71 110.616 -175.505 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 44.5 tp -62.81 127.71 32.51 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.628 -0.715 . . . . 1.18 110.52 -176.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.644 HG22 ' C ' ' A' ' 57' ' ' SER . 15.2 m -97.68 -58.48 3.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.907 -0.588 . . . . 1.01 111.339 -178.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.598 ' H ' HG23 ' A' ' 69' ' ' VAL . 4.2 p -147.33 139.56 24.5 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.574 -0.739 . . . . 0.42 109.318 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.687 HG23 ' HB3' ' A' ' 56' ' ' PHE . 11.5 p -135.42 140.31 45.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.825 0.345 . . . . 0.32 110.408 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -133.84 138.12 30.12 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 116.259 -0.428 . . . . 0.29 110.205 176.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.557 ' HA ' HG12 ' A' ' 54' ' ' VAL . 78.3 Cg_exo -52.5 113.95 1.45 Allowed 'Trans proline' 0 CA--C 1.532 0.415 0 C-N-CA 123.072 2.515 . . . . 0.81 112.691 179.044 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.572 ' H ' ' HA ' ' A' ' 54' ' ' VAL . 2.9 tt0 -89.59 173.63 8.21 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.041 -0.527 . . . . 1.08 110.207 178.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.324 -0.507 0 N-CA-C 109.324 -0.621 . . . . 1.64 109.324 174.672 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo . . . . . 0 C--O 1.235 0.34 0 CA-C-O 121.311 0.463 . . . . 0.95 112.973 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 34.5 tt0 -95.83 121.88 38.02 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.059 -0.973 . . . . 1.13 109.597 179.049 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.421 ' HB3' ' OG ' ' A' ' 27' ' ' SER . 67.0 m-70 -122.97 125.81 45.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.181 -0.463 . . . . 0.55 110.023 -176.796 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.828 ' HG2' ' HB2' ' A' ' 57' ' ' SER . 75.0 mtt180 -75.42 141.54 43.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.833 0.349 . . . . 2.51 110.726 176.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -146.99 144.47 29.19 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.405 -0.816 . . . . 0.41 110.697 -178.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.6 m -111.97 152.07 13.89 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 115.904 -0.589 . . . . 0.24 110.419 175.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.483 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 178.77 -166.96 37.03 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.373 -0.918 . . . . 0.28 112.301 178.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.421 ' HA ' ' HA ' ' A' ' 53' ' ' ARG . 62.7 ttt180 -123.11 136.1 54.65 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.377 -0.601 . . . . 3.19 109.377 -178.354 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.659 HD11 HG21 ' A' ' 54' ' ' VAL . 30.9 mm -67.53 133.27 31.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.906 0.384 . . . . 0.23 110.11 -176.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.565 ' HG2' HG21 ' A' ' 34' ' ' THR . 6.1 tp60 -93.69 -49.72 5.72 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.91 -0.587 . . . . 1.13 109.656 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.556 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 43.5 m -161.66 153.03 18.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.979 -0.555 . . . . 0.75 110.114 177.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.809 HG23 HD22 ' A' ' 18' ' ' LEU . 42.9 mt -99.82 134.03 40.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.733 0.301 . . . . 0.77 110.301 177.436 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' A' ' 17' ' ' SER . . . -102.29 -150.84 23.34 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 121.249 -0.501 . . . . 1.06 111.958 178.703 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -100.75 -36.99 8.91 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.409 0.623 . . . . 2.51 109.84 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.21 3.35 2.86 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.305 -0.861 . . . . 3.93 110.55 178.548 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.4 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 8.3 p -155.29 147.81 24.07 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.587 -0.733 . . . . 0.94 109.711 179.298 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.809 HD22 HG23 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -124.59 145.95 49.32 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 109.53 -0.544 . . . . 1.03 109.53 179.477 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.626 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 20.3 mt -92.6 129.83 42.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 N-CA-C 109.459 -0.571 . . . . 0.56 109.459 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 54.3 mt -129.47 128.5 66.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.315 -0.402 . . . . 0.21 111.052 -176.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.528 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -77.87 94.41 4.54 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.281 -0.637 . . . . 0.22 109.281 171.246 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.483 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 25.6 p80 -96.77 153.77 17.68 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.275 -0.42 . . . . 0.27 111.193 -176.271 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -63.59 -169.51 0.03 OUTLIER 'General case' 0 C--O 1.239 0.517 0 CA-C-N 115.249 -0.887 . . . . 3.05 111.381 175.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.554 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -63.85 -32.09 73.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.01 -0.541 . . . . 1.5 111.534 -176.555 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.452 HD12 ' CE3' ' A' ' 30' ' ' TRP . 52.9 mt 67.86 86.15 0.13 Allowed Pre-proline 0 C--N 1.321 -0.648 0 CA-C-O 121.037 0.446 . . . . 0.63 110.145 -178.678 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -72.56 -3.18 12.98 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.89 2.393 . . . . 0.97 112.065 -177.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.421 ' OG ' ' HB3' ' A' ' 4' ' ' HIS . 6.1 p -90.82 -21.23 21.59 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.121 -0.49 . . . . 1.1 110.731 178.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -117.42 -7.45 11.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.411 -0.358 . . . . 0.89 111.239 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.9 mp0 62.86 42.26 7.97 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.991 -0.55 . . . . 2.21 111.623 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.452 ' CE3' HD12 ' A' ' 25' ' ' ILE . 48.3 m0 -92.8 173.94 7.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.159 -0.473 . . . . 1.02 109.795 175.187 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.65 29.38 6.95 Favored Glycine 0 C--N 1.32 -0.354 0 C-N-CA 120.197 -1.001 . . . . 1.67 113.611 -174.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.554 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 68.53 123.79 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.126 0.571 . . . . 0.57 112.05 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 17.2 ptt? -172.14 152.79 2.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.792 -0.64 . . . . 0.84 110.786 -178.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.565 HG21 ' HG2' ' A' ' 11' ' ' GLN . 46.4 m -82.56 105.22 13.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.013 -0.539 . . . . 0.75 110.446 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 81.3 mtp -120.36 164.69 15.95 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 116.082 -0.508 . . . . 1.6 111.88 -177.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.626 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 41.0 tt0 -101.95 131.35 48.4 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.441 -0.799 . . . . 1.0 110.444 179.123 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -115.41 140.54 49.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.37 110.337 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.63 149.34 27.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.211 -0.45 . . . . 0.34 110.998 -176.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.91 134.77 95.15 Favored Pre-proline 0 C--O 1.236 0.379 0 CA-C-N 116.423 -0.353 . . . . 0.6 111.825 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.411 ' HD3' ' HB3' ' A' ' 68' ' ' LEU . 18.8 Cg_endo -61.28 157.84 38.36 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 123.075 2.517 . . . . 1.1 111.975 175.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -63.9 -8.6 16.29 Favored 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 122.806 2.337 . . . . 2.05 112.958 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.93 -15.86 25.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.477 -0.329 . . . . 1.33 111.502 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.14 174.88 26.44 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 120.942 -0.646 . . . . 0.93 111.545 -177.191 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.453 HD13 HD21 ' A' ' 18' ' ' LEU . 66.3 mt -104.69 133.52 20.13 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-O 120.88 0.371 . . . . 0.97 111.292 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.494 ' HD2' HD21 ' A' ' 48' ' ' LEU . 84.1 Cg_endo -83.15 -173.09 1.55 Allowed 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 123.496 2.798 . . . . 0.69 111.987 175.124 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.48 157.37 16.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.301 -0.409 . . . . 2.12 110.776 172.677 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.23 14.58 27.99 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.787 -0.721 . . . . 0.63 111.709 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.783 HD23 HG11 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -127.48 46.75 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.761 0.315 . . . . 1.06 111.116 179.569 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.561 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 7.1 ptpp? -95.3 164.4 12.85 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.725 -0.39 . . . . 3.0 110.395 -173.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.556 ' HB2' ' HA ' ' A' ' 12' ' ' SER . . . -54.14 103.17 0.07 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.701 -0.681 . . . . 0.37 110.543 176.631 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 125.97 -20.67 6.32 Favored Glycine 0 N--CA 1.442 -0.956 0 C-N-CA 120.86 -0.686 . . . . 0.38 112.549 -178.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.532 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 62.8 m-20 -80.49 146.39 31.39 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 116.964 0.382 . . . . 0.53 110.709 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.421 ' HA ' ' HA ' ' A' ' 9' ' ' ARG . 32.8 ttm105 -102.27 122.59 44.51 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.343 -0.614 . . . . 3.26 109.343 172.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.659 HG21 HD11 ' A' ' 10' ' ' ILE . 17.2 m -127.98 153.32 37.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.283 0.563 . . . . 0.3 111.768 -172.148 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.4 118.92 37.92 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.555 -0.905 . . . . 0.16 108.555 173.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.672 ' HB3' HG23 ' A' ' 71' ' ' VAL . 50.5 p90 -138.3 -179.58 5.88 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.765 0.317 . . . . 0.36 111.176 -171.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.828 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 32.2 t -135.59 -178.28 5.05 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 107.864 -1.161 . . . . 1.08 107.864 168.335 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -171.66 155.56 4.06 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.785 -0.45 . . . . 0.41 109.785 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 59' ' ' ARG . 8.3 mtm180 -108.62 149.13 29.35 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.928 -0.397 . . . . 3.07 109.928 178.372 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.43 ' HA ' HD23 ' A' ' 60' ' ' LEU . 10.8 mt -94.73 105.39 17.33 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.956 -0.757 . . . . 1.04 108.956 166.496 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.652 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 22.1 m-20 -77.61 160.0 75.72 Favored Pre-proline 0 C--N 1.314 -0.953 0 N-CA-C 108.553 -0.906 . . . . 1.87 108.553 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -66.82 1.42 2.76 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 123.205 2.604 . . . . 1.62 113.952 -169.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -102.83 2.84 35.99 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.026 0.441 . . . . 2.43 110.655 176.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.54 34.07 29.47 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.276 -1.13 . . . . 1.08 110.276 -174.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.652 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 92.2 mmm -96.5 147.72 23.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.108 -0.546 . . . . 2.74 110.253 -177.332 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.94 97.4 5.67 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.631 -0.878 . . . . 0.54 108.631 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.4 m -110.41 123.67 50.31 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.592 -0.731 . . . . 0.71 111.12 -172.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.411 ' HB3' ' HD3' ' A' ' 40' ' ' PRO . 56.6 tp -65.18 136.99 57.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.253 -0.885 . . . . 1.18 109.955 -179.189 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.613 HG22 ' C ' ' A' ' 57' ' ' SER . 14.1 m -104.44 -57.13 4.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.11 0.481 . . . . 1.01 111.782 -178.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.565 ' H ' HG23 ' A' ' 69' ' ' VAL . 13.8 p -145.42 145.59 31.19 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.822 -0.807 . . . . 0.42 108.822 -178.605 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.783 HG11 HD23 ' A' ' 48' ' ' LEU . 8.7 p -142.43 137.81 29.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.894 0.378 . . . . 0.32 110.427 -179.316 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -137.12 137.95 24.2 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.232 -0.44 . . . . 0.29 110.682 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -61.4 126.37 19.09 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.725 2.283 . . . . 0.81 111.716 177.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.525 ' HG2' ' C ' ' A' ' 54' ' ' VAL . 1.8 pt20 -128.27 175.75 8.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.307 0.575 . . . . 1.08 111.154 -176.12 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.5 m . . . . . 0 C--N 1.319 -0.732 0 CA-C-N 115.629 -0.714 . . . . 1.64 110.928 -176.835 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo . . . . . 0 C--O 1.237 0.457 0 CA-C-O 121.184 0.41 . . . . 0.95 112.816 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.403 ' HB2' ' HG2' ' A' ' 59' ' ' ARG . 55.9 tt0 -99.49 133.88 43.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.613 -0.721 . . . . 1.13 109.921 -178.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.569 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 83.5 m-70 -125.54 148.17 49.0 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.28 -0.267 . . . . 0.55 110.28 -178.212 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.636 ' HD3' ' HB3' ' A' ' 57' ' ' SER . 26.8 mmt180 -79.69 143.67 34.39 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 110.065 -0.346 . . . . 2.51 110.065 178.324 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -153.13 139.38 18.44 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.871 0.367 . . . . 0.41 110.741 177.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.529 HG23 ' HG3' ' A' ' 23' ' ' GLU . 28.0 m -117.28 149.23 19.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.458 -0.337 . . . . 0.24 110.233 176.393 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.445 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -173.56 -166.14 31.41 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.433 -0.889 . . . . 0.28 112.779 177.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -121.25 147.49 45.56 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.167 -0.308 . . . . 3.19 110.167 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.605 HD11 HG21 ' A' ' 54' ' ' VAL . 34.9 mm -83.38 128.97 38.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.455 -0.339 . . . . 0.23 111.415 -178.057 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 -92.7 -50.82 5.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.0 0.429 . . . . 1.13 110.116 173.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.1 m -160.16 150.57 18.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.788 -0.642 . . . . 0.75 109.934 177.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.671 HD11 ' HA ' ' A' ' 49' ' ' LYS . 76.4 mt -99.25 144.11 12.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.192 -0.458 . . . . 0.77 110.67 -179.545 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.651 ' H ' ' HB3' ' A' ' 18' ' ' LEU . . . -128.25 160.48 22.02 Favored Glycine 0 N--CA 1.44 -1.051 0 N-CA-C 110.949 -0.86 . . . . 1.06 110.949 175.162 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -68.55 -33.74 74.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.056 0.455 . . . . 2.51 110.896 -176.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.452 ' H ' ' HD2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -115.5 -25.49 7.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.028 -0.533 . . . . 3.93 110.504 -176.844 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.496 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 17.9 p -158.15 149.05 20.78 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.028 -0.533 . . . . 0.94 110.182 -178.01 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.651 ' HB3' ' H ' ' A' ' 14' ' ' GLY . 0.7 OUTLIER -140.01 160.16 40.56 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.181 -0.463 . . . . 1.03 110.778 -176.88 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.558 HG22 HG22 ' A' ' 34' ' ' THR . 8.1 mt -103.25 130.92 52.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.218 -0.447 . . . . 0.56 111.024 -173.676 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.478 HG12 HD13 ' A' ' 10' ' ' ILE . 88.0 mt -132.87 120.91 43.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.288 -0.869 . . . . 0.21 110.475 -178.24 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.675 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -72.86 91.23 1.5 Allowed 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.133 -0.691 . . . . 0.22 109.133 170.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.445 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 28.8 p80 -84.76 154.26 22.51 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.585 -0.734 . . . . 0.27 110.432 -178.285 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.529 ' HG3' HG23 ' A' ' 7' ' ' VAL . 5.6 mm-40 -63.94 -170.54 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.395 -0.82 . . . . 3.05 110.326 174.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.77 -43.73 98.27 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.053 -0.521 . . . . 1.5 110.91 -178.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.402 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 51.9 mt 71.95 90.06 0.08 OUTLIER Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 115.619 -0.719 . . . . 0.63 111.144 179.164 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 25' ' ' ILE . 33.5 Cg_endo -66.45 -19.15 55.31 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.585 2.19 . . . . 0.97 111.334 176.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.569 ' HB3' ' HB3' ' A' ' 4' ' ' HIS . 3.4 m -61.02 -30.92 70.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.343 -0.844 . . . . 1.1 111.457 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.99 2.23 9.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.294 -0.412 . . . . 0.89 111.371 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.1 mp0 60.18 36.77 20.95 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.325 0.583 . . . . 2.21 110.9 -178.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 31.4 m0 -94.42 175.23 6.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.512 -0.767 . . . . 1.02 111.462 -178.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -104.68 167.27 15.3 Favored Glycine 0 N--CA 1.442 -0.958 0 CA-C-N 115.212 -0.904 . . . . 1.67 111.231 171.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.0 119.98 20.7 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.761 0.315 . . . . 0.57 110.271 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -163.25 152.8 15.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.368 0.604 . . . . 0.84 111.739 -175.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.675 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 3.4 m -79.18 109.02 13.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.005 -0.998 . . . . 0.75 110.231 179.756 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 72.5 mtp -125.62 164.68 20.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.171 -0.468 . . . . 1.6 112.221 -179.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -101.11 137.23 39.74 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.379 -0.828 . . . . 1.0 110.499 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -117.53 131.13 56.75 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.491 -0.559 . . . . 0.37 109.491 176.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.605 ' HB3' HG23 ' A' ' 67' ' ' THR . . . -70.81 131.22 43.49 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.906 -0.405 . . . . 0.34 109.906 178.185 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.1 145.61 65.59 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 116.343 -0.39 . . . . 0.6 111.089 -176.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -61.77 152.73 72.44 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.36 2.04 . . . . 1.1 110.973 175.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.89 -16.74 40.03 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.995 2.463 . . . . 2.05 112.55 -177.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.75 -28.88 62.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.175 -0.466 . . . . 1.33 110.813 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 109.4 -176.17 19.39 Favored Glycine 0 N--CA 1.44 -1.073 0 N-CA-C 111.352 -0.699 . . . . 0.93 111.352 -178.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.469 ' HG ' ' CD2' ' A' ' 18' ' ' LEU . 2.7 mm? -101.12 141.59 22.92 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-O 120.635 0.255 . . . . 0.97 111.02 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.559 ' HD2' HD21 ' A' ' 48' ' ' LEU . 57.2 Cg_endo -78.09 -168.34 0.6 Allowed 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 123.034 2.489 . . . . 0.69 112.131 174.232 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -108.6 151.32 26.28 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.812 -0.631 . . . . 2.12 110.288 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.36 15.1 22.32 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 116.133 -0.485 . . . . 0.63 112.3 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.559 HD21 ' HD2' ' A' ' 45' ' ' PRO . 0.4 OUTLIER -133.19 53.1 2.04 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.953 0.406 . . . . 1.06 111.613 -177.29 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.671 ' HA ' HD11 ' A' ' 13' ' ' ILE . 32.7 mmtp -93.75 162.35 13.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.505 -0.316 . . . . 3.0 110.608 -175.218 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.91 112.2 0.49 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.045 -0.525 . . . . 0.37 110.815 174.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.62 -11.87 25.53 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.675 -0.774 . . . . 0.38 112.768 -178.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -86.15 155.07 20.91 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 121.101 0.477 . . . . 0.53 110.796 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.417 ' HG2' ' OE1' ' A' ' 74' ' ' GLN . 19.8 ttt85 -106.28 127.97 53.63 Favored 'General case' 0 N--CA 1.435 -1.175 0 N-CA-C 108.181 -1.044 . . . . 3.26 108.181 170.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.605 HG21 HD11 ' A' ' 10' ' ' ILE . 12.5 m -128.81 144.69 37.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.007 0.432 . . . . 0.3 111.48 -174.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.61 ' HB2' ' HG3' ' A' ' 74' ' ' GLN . . . -105.83 120.91 42.93 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.847 -0.797 . . . . 0.16 108.847 175.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.522 ' HB3' HG23 ' A' ' 71' ' ' VAL . 41.9 p90 -138.14 179.14 6.62 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.43 0.634 . . . . 0.36 112.071 -171.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.636 ' HB3' ' HD3' ' A' ' 5' ' ' ARG . 12.1 p -138.32 142.65 39.74 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.153 -0.93 . . . . 1.08 109.631 171.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -130.77 155.76 46.12 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.975 -0.557 . . . . 0.41 109.839 -177.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.617 ' HG3' HG21 ' A' ' 69' ' ' VAL . 76.2 mtt180 -107.33 137.39 45.46 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.856 0.36 . . . . 3.07 110.477 177.679 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 65' ' ' MET . 16.4 mt -103.68 127.44 51.14 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.487 -0.779 . . . . 1.04 110.554 178.35 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.459 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 1.6 m-20 -92.22 167.31 15.24 Favored Pre-proline 0 C--N 1.319 -0.75 0 N-CA-C 109.204 -0.665 . . . . 1.87 109.204 172.347 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.459 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 13.3 Cg_exo -68.42 -4.82 13.66 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.969 2.446 . . . . 1.62 111.735 -174.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.603 ' HB2' ' HG3' ' A' ' 65' ' ' MET . 82.7 m-70 -88.74 -12.6 41.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.28 -0.873 . . . . 2.43 109.988 177.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.96 32.94 16.39 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.102 -0.954 . . . . 1.08 110.966 -175.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.603 ' HG3' ' HB2' ' A' ' 63' ' ' HIS . 43.6 mtm -95.72 142.22 28.27 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 109.509 -0.552 . . . . 2.74 109.509 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.84 105.56 11.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.256 0.55 . . . . 0.54 110.04 -174.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.605 HG23 ' HB3' ' A' ' 38' ' ' ALA . 1.4 m -108.62 126.84 53.4 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.645 -0.707 . . . . 0.71 110.312 -177.109 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.46 130.79 40.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.105 -0.498 . . . . 1.18 109.661 -177.423 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.617 HG21 ' HG3' ' A' ' 59' ' ' ARG . 12.6 t -107.0 -67.36 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.063 0.458 . . . . 1.01 110.728 -178.266 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.7 p -132.05 130.72 41.67 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.142 -0.481 . . . . 0.42 110.881 -178.203 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.522 HG23 ' HB3' ' A' ' 56' ' ' PHE . 7.2 p -130.79 132.96 63.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.249 -0.432 . . . . 0.32 110.42 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -123.39 142.01 37.65 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.091 -0.504 . . . . 0.29 110.137 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -54.23 110.88 0.57 Allowed 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.859 2.373 . . . . 0.81 112.7 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.61 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 4.8 tt0 -81.79 173.82 11.92 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.819 -0.628 . . . . 1.08 109.829 176.519 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.4 m . . . . . 0 C--N 1.317 -0.819 0 CA-C-N 115.83 -0.623 . . . . 1.64 109.447 178.72 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo . . . . . 0 C--O 1.236 0.381 0 CA-C-O 121.174 0.406 . . . . 0.95 113.113 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -90.43 120.93 31.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.432 -0.804 . . . . 1.13 110.762 -176.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.5 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 26.2 m-70 -118.29 127.45 53.73 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.504 -0.554 . . . . 0.55 109.504 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.591 ' HG2' ' HB2' ' A' ' 57' ' ' SER . 59.2 mtt180 -77.83 150.49 34.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.017 0.437 . . . . 2.51 111.75 176.098 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.415 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . . . -158.34 150.01 21.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.55 -0.75 . . . . 0.41 110.864 177.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.3 m -115.55 150.59 17.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.232 -0.44 . . . . 0.24 110.387 175.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.524 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -174.67 -175.56 42.29 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.307 -0.949 . . . . 0.28 112.379 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.4 ttp85 -115.36 130.76 56.99 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.98 -0.748 . . . . 3.19 108.98 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.702 HD11 HG21 ' A' ' 54' ' ' VAL . 49.1 mm -64.05 126.91 23.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 116.164 -0.471 . . . . 0.23 110.957 -176.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 47.6 tp60 -89.02 -53.08 4.75 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.716 -0.675 . . . . 1.13 109.571 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.0 m -160.67 147.82 15.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.271 -0.422 . . . . 0.75 110.3 176.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.753 HD11 ' HA ' ' A' ' 49' ' ' LYS . 80.4 mt -97.11 131.71 43.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.064 0.459 . . . . 0.77 110.676 178.065 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -96.3 -149.63 25.85 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.55 -0.75 . . . . 1.06 111.631 177.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.639 ' HG2' ' HG3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -107.12 -39.24 5.77 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.198 0.523 . . . . 2.51 109.949 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.639 ' HG3' ' HG2' ' A' ' 15' ' ' GLU . 98.8 mtt180 -121.49 -2.45 9.46 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 115.53 -0.759 . . . . 3.93 110.19 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.409 ' OG ' ' HG2' ' A' ' 36' ' ' GLU . 3.5 t -155.29 -177.78 6.79 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 108.038 -1.097 . . . . 0.94 108.038 -175.277 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.439 ' HB3' ' HA ' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -165.28 145.99 7.19 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 120.849 0.357 . . . . 1.03 110.608 176.318 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.654 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 16.3 mt -93.32 127.59 45.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.822 -0.626 . . . . 0.56 109.745 -176.658 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.4 mt -126.72 121.8 59.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.021 -0.536 . . . . 0.21 110.381 -176.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.636 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -72.79 93.79 1.72 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.528 -0.545 . . . . 0.22 109.528 171.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.524 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 27.6 p80 -94.26 151.97 19.04 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.197 -0.456 . . . . 0.27 111.118 -176.001 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -71.12 -164.51 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.231 -0.895 . . . . 3.05 111.232 176.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.474 ' O ' ' HD3' ' A' ' 26' ' ' PRO . . . -70.66 116.44 10.98 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.467 -0.788 . . . . 1.5 110.375 176.394 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.559 ' HB ' ' HB2' ' A' ' 30' ' ' TRP . 58.6 mt -100.05 100.21 11.0 Favored Pre-proline 0 C--N 1.312 -1.064 0 CA-C-N 114.977 -1.01 . . . . 0.63 110.19 177.284 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.474 ' HD3' ' O ' ' A' ' 24' ' ' ALA . 9.7 Cg_exo -72.33 -11.32 26.62 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.762 2.308 . . . . 0.97 112.435 -178.134 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.5 ' CB ' ' HB3' ' A' ' 4' ' ' HIS . 1.4 m -76.21 -36.71 58.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.098 0.475 . . . . 1.1 110.876 -179.509 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -118.1 6.16 12.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.079 -0.51 . . . . 0.89 110.844 -178.062 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.1 mp0 62.84 28.44 16.41 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.542 -0.753 . . . . 2.21 111.28 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.559 ' HB2' ' HB ' ' A' ' 25' ' ' ILE . 45.2 m0 -85.11 109.01 17.95 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.22 -0.659 . . . . 1.02 109.22 178.275 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -90.36 69.64 2.28 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.898 -0.668 . . . . 1.67 113.033 -171.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 55.09 101.94 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.966 0.728 . . . . 0.57 112.966 174.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 19.6 ptt? -166.83 150.04 6.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.912 -0.585 . . . . 0.84 110.398 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.636 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 25.8 m -78.37 107.24 10.86 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.709 -0.678 . . . . 0.75 110.725 -177.144 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.6 mtp -129.01 162.78 26.84 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 116.137 -0.483 . . . . 1.6 111.477 -178.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.654 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 31.7 tt0 -96.66 147.67 23.65 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.251 -0.886 . . . . 1.0 110.531 -177.492 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.51 ' HB3' ' HB2' ' A' ' 68' ' ' LEU . 96.4 m-85 -131.45 114.5 15.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.384 -0.371 . . . . 0.37 110.432 -177.711 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.63 132.41 53.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.765 -0.652 . . . . 0.34 111.372 -177.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.72 145.95 95.26 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.149 -0.478 . . . . 0.6 111.585 -176.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -64.21 152.62 80.47 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.376 2.051 . . . . 1.1 111.005 173.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.57 -14.09 24.32 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.201 2.601 . . . . 2.05 112.924 -177.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.99 -29.58 60.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.315 -0.402 . . . . 1.33 111.122 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.6 179.77 20.42 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.969 -0.634 . . . . 0.93 112.105 -179.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.408 HD22 ' N ' ' A' ' 44' ' ' LEU . 2.5 mm? -105.8 142.31 24.52 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-O 120.842 0.353 . . . . 0.97 111.325 -178.423 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.681 ' HD2' HD21 ' A' ' 48' ' ' LEU . 88.3 Cg_endo -87.18 -172.14 0.86 Allowed 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 123.287 2.658 . . . . 0.69 111.425 170.41 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -111.0 148.79 31.79 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.111 -0.495 . . . . 2.12 109.927 175.224 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.84 10.88 11.82 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 111.42 -0.672 . . . . 0.63 111.42 -177.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.681 HD21 ' HD2' ' A' ' 45' ' ' PRO . 0.5 OUTLIER -129.65 47.97 2.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.097 0.475 . . . . 1.06 110.342 -178.833 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.753 ' HA ' HD11 ' A' ' 13' ' ' ILE . 6.8 ptpp? -95.36 170.73 9.17 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.162 -0.472 . . . . 3.0 110.648 -170.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.41 112.97 0.83 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.89 -0.596 . . . . 0.37 111.077 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 106.49 -3.08 36.89 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.658 -0.782 . . . . 0.38 112.541 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.59 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 6.5 m-20 -88.94 153.52 20.97 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 121.039 0.447 . . . . 0.53 110.479 175.532 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.4 ' HD2' HH11 ' A' ' 53' ' ' ARG . 2.7 tpp180 -105.86 121.63 44.45 Favored 'General case' 0 N--CA 1.437 -1.125 0 N-CA-C 108.421 -0.955 . . . . 3.26 108.421 172.59 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.702 HG21 HD11 ' A' ' 10' ' ' ILE . 16.5 m -125.91 151.6 32.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-O 121.075 0.464 . . . . 0.3 111.221 -177.252 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.72 118.08 35.59 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.443 -0.947 . . . . 0.16 108.443 175.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.669 ' HB3' HG23 ' A' ' 71' ' ' VAL . 46.1 p90 -133.23 174.58 10.23 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.405 0.621 . . . . 0.36 112.357 -170.019 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.591 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 5.5 t -143.09 139.77 30.6 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.344 -0.844 . . . . 1.08 108.888 173.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.51 ' HD2' HD23 ' A' ' 60' ' ' LEU . 36.4 p90 -135.46 150.84 49.93 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.093 -0.503 . . . . 0.41 110.402 -174.186 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.7 ' HG3' HG21 ' A' ' 69' ' ' VAL . 42.6 mtm-85 -103.9 133.96 48.0 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.801 0.334 . . . . 3.07 110.383 178.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.625 HD22 ' HA ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -109.72 130.14 55.54 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 115.694 -0.684 . . . . 1.04 110.721 179.802 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.423 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 16.0 m-20 -99.11 165.57 14.63 Favored Pre-proline 0 C--N 1.317 -0.821 0 CA-C-N 116.031 -0.531 . . . . 1.87 109.686 174.22 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.413 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 16.7 Cg_exo -68.43 -7.14 19.38 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 123.161 2.574 . . . . 1.62 111.534 -176.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -85.95 -12.48 50.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.385 -0.825 . . . . 2.43 110.463 177.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.35 18.17 39.99 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.75 -0.94 . . . . 1.08 110.75 -175.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.423 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 77.5 mtp -74.91 118.26 17.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.267 -0.466 . . . . 2.74 109.791 -179.568 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.625 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -105.48 98.81 8.45 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.399 -0.593 . . . . 0.54 109.399 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.57 121.28 44.74 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.636 -0.711 . . . . 0.71 110.957 -172.663 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.51 ' HB2' ' HB3' ' A' ' 37' ' ' PHE . 41.5 tp -74.01 131.53 41.48 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.734 -0.469 . . . . 1.18 109.734 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.7 HG21 ' HG3' ' A' ' 59' ' ' ARG . 24.7 t -103.01 -55.18 6.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.024 0.44 . . . . 1.01 110.831 -177.439 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.7 p -143.13 146.24 33.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.616 -0.72 . . . . 0.42 110.265 -179.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.669 HG23 ' HB3' ' A' ' 56' ' ' PHE . 12.4 p -144.29 132.37 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.941 0.4 . . . . 0.32 110.203 175.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -119.68 140.1 28.95 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 116.28 -0.418 . . . . 0.29 110.327 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.83 115.45 3.26 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.504 2.136 . . . . 0.81 111.779 178.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.542 ' HG3' ' N ' ' A' ' 75' ' ' VAL . 3.4 pt20 -112.86 177.9 4.47 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.788 -0.642 . . . . 1.08 109.732 -177.41 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.542 ' N ' ' HG3' ' A' ' 74' ' ' GLN . 3.7 p . . . . . 0 C--N 1.313 -0.992 0 CA-C-O 121.574 0.702 . . . . 1.64 110.704 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo . . . . . 0 C--O 1.236 0.42 0 CA-C-O 121.388 0.495 . . . . 0.95 113.234 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -96.33 139.91 31.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.279 -0.873 . . . . 1.13 109.366 176.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -126.4 141.34 51.93 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.114 -0.328 . . . . 0.55 110.114 -177.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.463 ' HD3' ' HA ' ' A' ' 5' ' ' ARG . 2.5 mmt180 -85.01 128.91 34.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.121 -0.491 . . . . 2.51 110.61 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -137.73 128.23 26.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.073 0.463 . . . . 0.41 111.72 -173.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.408 ' HB ' HE22 ' A' ' 74' ' ' GLN . 27.4 m -110.43 151.75 12.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.092 -0.504 . . . . 0.24 110.473 174.322 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.608 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -179.06 -162.63 28.73 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.52 -0.847 . . . . 0.28 112.425 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.5 ttp-105 -125.28 133.71 52.55 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.446 -0.575 . . . . 3.19 109.446 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.617 HD11 HG21 ' A' ' 54' ' ' VAL . 41.8 mm -64.98 123.91 18.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.803 0.335 . . . . 0.23 110.412 -177.242 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -88.21 -53.92 4.46 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.844 -0.616 . . . . 1.13 109.456 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.7 m -159.82 158.73 31.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.767 -0.651 . . . . 0.75 109.249 175.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.864 HD11 ' HA ' ' A' ' 49' ' ' LYS . 69.2 mt -110.95 144.09 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.401 0.62 . . . . 0.77 111.833 -175.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.71 ' H ' ' HB3' ' A' ' 18' ' ' LEU . . . -131.99 160.37 23.57 Favored Glycine 0 N--CA 1.44 -1.05 0 N-CA-C 110.427 -1.069 . . . . 1.06 110.427 171.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -60.74 -42.88 98.23 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 111.833 0.308 . . . . 2.51 111.833 -176.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.84 -4.63 8.6 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.457 -0.497 . . . . 3.93 112.086 -175.552 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.41 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 10.5 p -157.71 146.26 19.27 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.727 -0.472 . . . . 0.94 109.727 172.661 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.71 ' HB3' ' H ' ' A' ' 14' ' ' GLY . 1.1 pp -145.41 152.01 39.16 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-O 120.954 0.407 . . . . 1.03 111.207 -178.24 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.568 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 9.4 mt -98.06 129.54 48.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.689 -0.687 . . . . 0.56 110.289 -174.602 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 82.1 mt -127.61 123.14 60.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.01 -0.541 . . . . 0.21 110.29 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.54 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -71.73 90.9 1.09 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.042 -0.725 . . . . 0.22 109.042 171.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.608 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 28.6 p80 -93.29 150.32 20.57 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.021 -0.536 . . . . 0.27 110.242 -177.289 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.442 ' O ' HG13 ' A' ' 25' ' ' ILE . 58.8 mt-10 -79.1 -160.34 0.23 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.774 -0.648 . . . . 3.05 110.614 178.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.461 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -54.12 -46.28 72.14 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.933 0.716 . . . . 1.5 112.933 -173.151 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 23' ' ' GLU . 44.0 mt 70.17 88.63 0.1 OUTLIER Pre-proline 0 C--N 1.317 -0.812 0 CA-C-O 121.026 0.441 . . . . 0.63 110.492 -176.155 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.49 -31.15 71.87 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.481 2.12 . . . . 0.97 111.774 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 m -68.48 -18.53 64.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.754 -0.657 . . . . 1.1 111.997 -176.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.01 -6.33 10.49 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.011 -0.276 . . . . 0.89 111.525 -177.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 63.01 35.69 12.98 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.998 -0.546 . . . . 2.21 110.709 -178.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.452 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 45.2 m0 -90.76 173.85 7.79 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.647 -0.501 . . . . 1.02 109.647 178.199 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.99 44.5 1.23 Allowed Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.187 -1.006 . . . . 1.67 113.879 -177.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.461 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 66.13 120.78 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.165 0.802 . . . . 0.57 113.165 174.064 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 14.6 ptt? -171.66 145.27 1.97 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.046 -0.525 . . . . 0.84 110.931 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.54 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 13.8 m -75.33 106.48 6.89 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.042 -0.526 . . . . 0.75 110.175 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 85.3 mtp -125.95 165.03 19.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.202 0.525 . . . . 1.6 112.18 -176.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.568 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 88.1 tt0 -104.59 138.58 40.72 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.962 -1.017 . . . . 1.0 110.252 -178.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -119.33 136.47 54.24 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.357 -0.383 . . . . 0.37 110.107 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.29 135.74 36.83 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.229 -0.441 . . . . 0.34 110.21 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.43 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . . . -95.13 143.41 26.06 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.331 -0.395 . . . . 0.6 110.589 -178.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 39' ' ' ALA . 24.2 Cg_exo -63.73 152.58 79.87 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.621 2.214 . . . . 1.1 110.808 173.249 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -62.98 -1.03 2.45 Favored 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 123.062 2.508 . . . . 2.05 113.399 -177.369 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.38 -21.59 38.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.928 0.394 . . . . 1.33 110.595 176.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.84 171.65 37.32 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 121.035 -0.603 . . . . 0.93 112.504 178.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.535 ' HG ' HD21 ' A' ' 18' ' ' LEU . 2.8 mm? -92.79 145.62 30.62 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-O 121.018 0.437 . . . . 0.97 111.379 -176.608 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.591 ' HD2' HD21 ' A' ' 48' ' ' LEU . 45.0 Cg_endo -74.91 -166.6 0.35 Allowed 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.866 2.378 . . . . 0.69 112.245 174.595 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 -102.36 154.28 19.22 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.712 -0.676 . . . . 2.12 109.683 178.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.99 9.68 48.09 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.564 -0.827 . . . . 0.63 113.195 176.079 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.63 HD23 HG11 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -124.96 50.82 1.71 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.726 0.298 . . . . 1.06 111.762 -177.68 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.864 ' HA ' HD11 ' A' ' 13' ' ' ILE . 71.1 mmtt -94.21 158.79 15.43 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.337 -0.246 . . . . 3.0 110.337 -175.349 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.25 110.2 0.25 Allowed 'General case' 0 C--O 1.232 0.175 0 O-C-N 123.465 0.478 . . . . 0.37 111.044 177.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.76 -18.59 12.82 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.762 -0.732 . . . . 0.38 112.876 -178.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -81.24 158.58 24.79 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.424 0.63 . . . . 0.53 111.508 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -110.47 120.81 43.62 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.237 -0.892 . . . . 3.26 108.746 174.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.617 HG21 HD11 ' A' ' 10' ' ' ILE . 15.7 m -129.58 156.86 42.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.806 0.336 . . . . 0.3 110.79 -175.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.545 ' HB2' ' HG3' ' A' ' 74' ' ' GLN . . . -112.24 112.17 23.57 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.23 -0.655 . . . . 0.16 109.23 176.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.46 ' HB3' HG23 ' A' ' 71' ' ' VAL . 10.9 p90 -125.7 174.05 8.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.808 0.813 . . . . 0.36 112.147 -173.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.1 p -128.65 145.49 51.14 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 114.724 -1.125 . . . . 1.08 108.671 173.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -131.57 141.4 49.68 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.082 0.468 . . . . 0.41 110.238 177.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -110.78 134.26 52.65 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.854 -0.612 . . . . 3.07 109.453 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.98 118.79 29.8 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.987 0.422 . . . . 1.04 109.882 178.139 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.49 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 15.0 m-20 -89.74 167.48 17.25 Favored Pre-proline 0 C--N 1.314 -0.935 0 CA-C-N 115.795 -0.639 . . . . 1.87 109.279 178.166 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.49 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 20.4 Cg_exo -65.5 1.78 1.94 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.379 2.719 . . . . 1.62 113.172 -171.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -94.54 -18.98 20.92 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.266 0.555 . . . . 2.43 110.002 177.366 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.19 15.66 47.07 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 110.872 -0.891 . . . . 1.08 110.872 -177.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.4 mmt -88.26 152.96 21.59 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.173 -0.514 . . . . 2.74 110.096 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -107.19 97.75 7.48 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.85 -0.796 . . . . 0.54 108.85 -177.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.3 m -97.15 122.6 40.34 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.36 -0.836 . . . . 0.71 110.717 -173.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.454 HD21 ' HB2' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -70.33 128.0 34.72 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.619 -0.719 . . . . 1.18 109.559 -177.767 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.0 t -100.26 -66.14 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.056 0.455 . . . . 1.01 111.023 -173.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.3 p -138.07 143.15 40.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.924 -0.58 . . . . 0.42 109.715 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.63 HG11 HD23 ' A' ' 48' ' ' LEU . 13.1 p -133.51 123.26 45.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.371 0.605 . . . . 0.32 110.136 178.577 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.99 137.67 20.56 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-N 115.907 -0.588 . . . . 0.29 110.033 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -52.4 106.27 0.14 Allowed 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.775 2.317 . . . . 0.81 112.823 176.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.545 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 1.1 tt0 -86.9 174.51 8.69 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 115.393 -0.822 . . . . 1.08 110.106 176.5 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.439 -1.025 0 CA-C-N 115.07 -0.968 . . . . 1.64 110.014 172.076 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo . . . . . 0 C--O 1.236 0.376 0 CA-C-O 121.343 0.476 . . . . 0.95 112.041 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -101.56 125.13 48.16 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.287 -0.869 . . . . 1.13 110.228 -176.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -129.28 139.35 51.83 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.557 -0.905 . . . . 0.55 108.557 178.134 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.748 ' HA ' ' HA ' ' A' ' 57' ' ' SER . 17.7 ptp180 -99.72 160.64 14.15 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.272 -0.571 . . . . 2.51 110.645 178.588 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -159.69 148.99 18.01 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.36 -0.836 . . . . 0.41 110.39 -178.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.8 m -106.76 141.27 22.38 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 115.78 -0.645 . . . . 0.24 109.823 172.189 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.601 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -163.28 176.34 39.48 Favored Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.117 -1.04 . . . . 0.28 112.576 -177.67 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 52' ' ' ASP . 59.3 ttt180 -110.97 127.5 55.53 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.726 -0.472 . . . . 3.19 109.726 -178.484 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.427 HD11 HG21 ' A' ' 54' ' ' VAL . 43.0 mm -63.1 129.83 27.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.911 -0.586 . . . . 0.23 110.72 -177.584 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.431 ' HG2' HG21 ' A' ' 34' ' ' THR . 4.4 tp60 -92.08 -51.19 5.31 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 109.164 -0.68 . . . . 1.13 109.164 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.7 m -160.0 153.08 21.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.763 -0.653 . . . . 0.75 110.052 175.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.894 HD11 ' HA ' ' A' ' 49' ' ' LYS . 76.4 mt -100.63 144.89 12.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 123.3 0.375 . . . . 0.77 110.458 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.432 ' HA3' ' O ' ' A' ' 17' ' ' SER . . . -121.91 -157.35 9.98 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 121.023 -0.608 . . . . 1.06 112.364 178.365 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.831 ' HG3' ' HG2' ' A' ' 16' ' ' ARG . 8.7 pt-20 -89.73 -39.88 12.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.627 0.727 . . . . 2.51 110.45 -175.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.831 ' HG2' ' HG3' ' A' ' 15' ' ' GLU . 9.0 ptp180 -145.81 7.67 1.09 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.689 -1.141 . . . . 3.93 109.271 -177.26 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.432 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 2.4 p -155.68 146.85 22.53 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 114.766 -1.106 . . . . 0.94 108.942 -177.074 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.405 ' HB3' ' HA ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -150.83 152.44 33.75 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-O 121.098 0.475 . . . . 1.03 110.607 179.732 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.834 HG22 HG22 ' A' ' 34' ' ' THR . 6.7 mt -100.92 130.23 50.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.516 -0.766 . . . . 0.56 109.833 -172.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 69.4 mt -129.7 125.12 60.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.944 0.402 . . . . 0.21 111.309 -176.566 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.653 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -79.22 90.72 4.93 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.319 -0.623 . . . . 0.22 109.319 171.032 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.601 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 26.7 p80 -85.1 155.89 21.3 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.214 -0.448 . . . . 0.27 110.474 -178.141 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -70.45 -171.2 0.46 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.696 -0.684 . . . . 3.05 110.577 174.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.622 ' O ' ' HD3' ' A' ' 26' ' ' PRO . . . -69.03 117.77 11.09 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.547 -0.751 . . . . 1.5 109.057 172.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.426 ' HB ' ' HB2' ' A' ' 30' ' ' TRP . 41.9 mt -95.52 102.62 10.36 Favored Pre-proline 0 C--N 1.315 -0.931 0 CA-C-N 115.65 -0.705 . . . . 0.63 110.565 -176.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.622 ' HD3' ' O ' ' A' ' 24' ' ' ALA . 35.8 Cg_exo -63.18 -36.37 58.19 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.469 2.113 . . . . 0.97 111.423 178.258 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.1 m -58.7 -31.54 68.33 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.846 -0.615 . . . . 1.1 111.97 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -114.81 3.07 14.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.699 0.285 . . . . 0.89 111.17 -178.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 57.47 28.56 15.66 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.829 -0.623 . . . . 2.21 111.27 -175.128 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.426 ' HB2' ' HB ' ' A' ' 25' ' ' ILE . 36.2 m0 -90.34 156.42 18.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.122 0.487 . . . . 1.02 111.002 179.559 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -92.85 -174.97 41.25 Favored Glycine 0 N--CA 1.438 -1.229 0 C-N-CA 120.521 -0.847 . . . . 1.67 111.37 172.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.25 116.48 21.15 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 110.013 -0.366 . . . . 0.57 110.013 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 5.3 ptt? -164.35 158.5 18.72 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.073 -0.512 . . . . 0.84 110.696 -177.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.834 HG22 HG22 ' A' ' 19' ' ' ILE . 16.7 m -88.44 103.34 15.76 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.5 -0.773 . . . . 0.75 110.778 -176.098 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.3 tpp -108.55 149.73 28.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.679 -0.691 . . . . 1.6 111.022 -176.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -88.88 128.44 35.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.116 177.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -117.76 136.43 53.39 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.334 -0.393 . . . . 0.37 110.076 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -93.76 140.25 29.87 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.257 -0.429 . . . . 0.34 110.023 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.404 ' HB2' HD11 ' A' ' 44' ' ' LEU . . . -94.05 150.99 39.33 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 123.196 0.31 . . . . 0.6 110.99 -178.11 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.481 ' HD3' ' O ' ' A' ' 68' ' ' LEU . 33.1 Cg_endo -65.12 159.33 47.31 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.488 2.125 . . . . 1.1 111.231 175.065 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 40' ' ' PRO . 35.5 Cg_exo -57.84 -15.0 19.85 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.992 2.461 . . . . 2.05 112.456 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.29 -41.25 96.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.917 -0.583 . . . . 1.33 111.241 177.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.81 167.47 21.63 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.8 -0.714 . . . . 0.93 112.279 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.404 HD11 ' HB2' ' A' ' 39' ' ' ALA . 3.2 mm? -88.4 141.62 30.75 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 121.137 0.494 . . . . 0.97 112.091 -174.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.494 ' HD2' HD21 ' A' ' 48' ' ' LEU . 54.7 Cg_endo -82.52 -166.08 0.37 Allowed 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 123.327 2.685 . . . . 0.69 111.753 171.271 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.41 ' H ' ' CD ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -111.39 164.26 13.12 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.33 -0.85 . . . . 2.12 109.893 178.711 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.03 21.99 34.17 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.173 -0.537 . . . . 0.63 112.036 -178.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.678 HD23 HG11 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -136.94 49.48 2.04 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.718 0.294 . . . . 1.06 111.774 -178.904 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.894 ' HA ' HD11 ' A' ' 13' ' ' ILE . 9.7 ptpp? -94.79 161.69 14.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.191 -0.318 . . . . 3.0 110.525 -172.502 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.3 106.2 0.08 Allowed 'General case' 0 C--O 1.235 0.334 0 O-C-N 123.625 0.578 . . . . 0.37 111.303 177.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.76 -26.27 5.69 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.831 -0.699 . . . . 0.38 112.551 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.462 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 24.9 m-20 -70.39 148.23 48.62 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 120.952 0.406 . . . . 0.53 110.788 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -112.12 95.86 5.7 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.307 -0.997 . . . . 3.26 108.307 174.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.558 HG12 ' HA ' ' A' ' 73' ' ' PRO . 10.5 m -102.58 150.28 6.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.068 -0.515 . . . . 0.3 111.062 -169.345 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.96 120.82 38.02 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.778 -0.647 . . . . 0.16 109.258 173.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.844 ' HB3' HG23 ' A' ' 71' ' ' VAL . 37.3 p90 -139.75 167.45 22.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.28 0.562 . . . . 0.36 112.046 -173.005 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.748 ' HA ' ' HA ' ' A' ' 5' ' ' ARG . 35.5 p -132.55 139.12 47.72 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.519 -0.764 . . . . 1.08 109.51 175.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -134.11 161.48 34.74 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.895 0.378 . . . . 0.41 110.546 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.491 ' HG3' HG21 ' A' ' 69' ' ' VAL . 83.6 mtt180 -116.57 139.33 50.62 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.245 -0.434 . . . . 3.07 110.417 177.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.4 mt -100.15 141.49 32.9 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.722 -0.672 . . . . 1.04 110.762 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.533 ' OD2' ' HB2' ' A' ' 65' ' ' MET . 4.2 p30 -102.18 164.4 15.83 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 115.93 -0.577 . . . . 1.87 109.763 172.42 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.98 -0.96 3.68 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.984 2.456 . . . . 1.62 113.216 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -95.96 -19.23 19.66 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.72 -0.844 . . . . 2.43 108.72 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.26 23.71 10.21 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 114.457 -1.247 . . . . 1.08 111.911 176.396 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.533 ' HB2' ' OD2' ' A' ' 61' ' ' ASP . 31.6 mtp -100.24 152.55 20.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.153 0.501 . . . . 2.74 110.037 -179.394 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.03 109.53 18.21 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.441 -0.799 . . . . 0.54 110.226 -172.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.17 120.28 41.9 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 116.052 -0.522 . . . . 0.71 110.558 -177.13 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.492 HD11 ' HB2' ' A' ' 56' ' ' PHE . 42.4 tp -71.63 134.65 46.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.792 -0.64 . . . . 1.18 110.347 -177.042 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.491 HG21 ' HG3' ' A' ' 59' ' ' ARG . 21.8 t -103.49 -56.93 4.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.342 -0.39 . . . . 1.01 110.477 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.5 p -143.0 142.6 31.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 0.42 110.567 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.844 HG23 ' HB3' ' A' ' 56' ' ' PHE . 8.7 p -132.59 142.27 42.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.374 -0.602 . . . . 0.32 109.374 176.547 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -130.97 139.52 35.85 Favored Pre-proline 0 C--N 1.316 -0.886 0 N-CA-C 109.856 -0.424 . . . . 0.29 109.856 176.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.558 ' HA ' HG12 ' A' ' 54' ' ' VAL . 26.2 Cg_endo -64.17 104.63 0.51 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.024 1.816 . . . . 0.81 112.145 -179.378 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.518 ' H ' ' HA ' ' A' ' 54' ' ' VAL . 11.8 tt0 -93.82 170.05 9.85 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 108.746 -0.835 . . . . 1.08 108.746 175.57 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.46 ' N ' ' CG ' ' A' ' 74' ' ' GLN . 2.4 p . . . . . 0 C--N 1.31 -1.128 0 CA-C-O 121.824 0.821 . . . . 1.64 110.673 -177.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo . . . . . 0 C--O 1.236 0.383 0 CA-C-O 120.965 0.319 . . . . 0.95 112.287 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -90.79 132.78 35.66 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.788 -0.642 . . . . 1.13 110.158 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.431 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 87.9 m-70 -126.1 147.11 49.67 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.681 -0.489 . . . . 0.55 109.681 178.071 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.578 HH11 ' HB3' ' A' ' 57' ' ' SER . 26.1 mmt180 -81.05 141.31 34.48 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.764 -0.458 . . . . 2.51 109.764 177.735 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.435 ' HB2' ' HE2' ' A' ' 58' ' ' PHE . . . -144.14 137.46 27.49 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 120.918 0.39 . . . . 0.41 111.149 179.399 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.0 m -119.0 151.02 21.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.265 -0.425 . . . . 0.24 110.142 173.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.599 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 174.01 -168.05 40.73 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.673 -0.775 . . . . 0.28 112.418 178.563 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 9' ' ' ARG . 13.8 ttp180 -115.91 137.4 52.14 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.645 -0.502 . . . . 3.19 109.645 -178.29 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.62 HD11 HG21 ' A' ' 54' ' ' VAL . 37.2 mm -68.0 124.69 24.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 116.307 -0.406 . . . . 0.23 110.241 179.269 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -85.25 -49.43 8.19 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.858 -0.61 . . . . 1.13 109.492 178.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.2 m -159.5 160.7 34.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.567 -0.742 . . . . 0.75 110.347 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.573 HD11 ' HA ' ' A' ' 49' ' ' LYS . 61.0 mt -107.95 130.79 59.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.474 -0.565 . . . . 0.77 109.474 173.557 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.74 -164.4 24.24 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 121.14 -0.552 . . . . 1.06 112.515 -177.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -83.13 -37.93 23.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.923 0.392 . . . . 2.51 111.151 -175.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -134.87 11.9 3.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.383 0.611 . . . . 3.93 110.504 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.604 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 3.6 p -158.09 172.94 17.51 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.242 -0.89 . . . . 0.94 109.007 -177.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.56 HD22 HG23 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -136.61 136.06 38.87 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.92 -0.77 . . . . 1.03 108.92 170.304 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.551 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 31.4 mt -84.98 122.18 37.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 N-CA-C 109.071 -0.714 . . . . 0.56 109.071 177.103 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 60.1 mt -123.34 121.19 62.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.087 -0.506 . . . . 0.21 110.786 -174.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.446 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -73.52 91.8 1.84 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.351 -0.611 . . . . 0.22 109.351 170.697 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.599 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 23.1 p80 -89.9 157.5 17.85 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.079 -0.509 . . . . 0.27 110.705 -176.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.426 ' O ' HG12 ' A' ' 25' ' ' ILE . 12.8 mm-40 -61.88 -169.81 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.296 -0.866 . . . . 3.05 111.559 174.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.585 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -55.63 -48.16 75.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 1.5 111.343 -178.213 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.53 ' HB ' ' HB2' ' A' ' 30' ' ' TRP . 41.7 mm 76.9 86.74 0.08 OUTLIER Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 123.782 0.676 . . . . 0.63 110.599 -178.627 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -75.58 -18.96 17.11 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 122.588 2.192 . . . . 0.97 111.873 178.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.431 ' HB2' ' HB3' ' A' ' 4' ' ' HIS . 9.0 p -71.94 -22.93 61.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.856 -0.611 . . . . 1.1 111.266 -178.137 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.16 4.72 9.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.565 -0.289 . . . . 0.89 111.196 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.6 mp0 55.77 49.72 15.63 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.976 -0.557 . . . . 2.21 111.374 -177.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.53 ' HB2' ' HB ' ' A' ' 25' ' ' ILE . 45.1 m0 -100.06 172.13 7.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.684 -0.689 . . . . 1.02 109.309 174.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.29 46.8 1.06 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.261 -0.971 . . . . 1.67 112.942 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.585 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 65.17 120.15 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.209 0.528 . . . . 0.57 112.307 175.306 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 19.1 ptt? -170.78 155.88 4.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.062 -0.517 . . . . 0.84 110.835 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.454 HG22 HG22 ' A' ' 19' ' ' ILE . 19.1 m -88.06 104.77 16.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.732 -0.667 . . . . 0.75 110.0 -177.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 73.6 mtp -115.83 164.2 14.73 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.69 -0.686 . . . . 1.6 111.944 -175.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.551 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 44.8 tt0 -102.75 122.75 45.11 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.066 -0.97 . . . . 1.0 109.872 178.776 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -105.27 121.24 43.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.302 -0.408 . . . . 0.37 110.301 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.604 ' HA ' ' HB3' ' A' ' 17' ' ' SER . . . -70.69 142.73 51.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.81 -0.632 . . . . 0.34 110.577 -176.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.91 139.97 97.95 Favored Pre-proline 0 C--O 1.235 0.309 0 CA-C-N 116.275 -0.42 . . . . 0.6 111.552 -178.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.453 ' HD2' HD13 ' A' ' 44' ' ' LEU . 36.3 Cg_endo -67.47 160.09 49.48 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.501 2.134 . . . . 1.1 111.469 174.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.93 -3.62 8.62 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.777 2.318 . . . . 2.05 112.976 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -105.41 3.37 29.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.506 -0.315 . . . . 1.33 111.153 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.46 169.59 45.81 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.645 -0.788 . . . . 0.93 112.238 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.558 ' HG ' HD21 ' A' ' 18' ' ' LEU . 2.7 mm? -86.5 141.61 34.47 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-O 120.991 0.424 . . . . 0.97 111.033 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.427 ' HD2' HD21 ' A' ' 48' ' ' LEU . 44.1 Cg_endo -80.64 -169.15 0.73 Allowed 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 123.063 2.508 . . . . 0.69 111.435 169.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.412 ' CD ' ' H ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -111.47 148.96 32.01 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.605 -0.725 . . . . 2.12 110.464 -177.877 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.08 21.43 10.96 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.943 -0.572 . . . . 0.63 112.275 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.692 HD23 HG11 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -127.61 49.41 2.13 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.767 0.318 . . . . 1.06 111.814 -177.854 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.573 ' HA ' HD11 ' A' ' 13' ' ' ILE . 66.7 mttt -95.29 161.52 14.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.977 0.418 . . . . 3.0 111.738 -177.537 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.97 110.47 0.36 Allowed 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 115.42 -0.809 . . . . 0.37 110.872 175.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.51 -14.34 20.43 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.53 -0.843 . . . . 0.38 112.708 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -84.61 148.2 26.58 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 117.16 0.48 . . . . 0.53 110.4 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.435 ' O ' ' HG2' ' A' ' 74' ' ' GLN . 22.5 ttm105 -103.45 121.85 43.68 Favored 'General case' 0 N--CA 1.439 -1.017 0 N-CA-C 108.79 -0.819 . . . . 3.26 108.79 173.276 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.62 HG21 HD11 ' A' ' 10' ' ' ILE . 16.3 m -126.9 154.18 36.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.101 0.477 . . . . 0.3 111.613 -173.483 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.72 115.87 30.66 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.771 -0.825 . . . . 0.16 108.771 175.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.789 ' HB3' HG23 ' A' ' 71' ' ' VAL . 11.2 p90 -134.93 -177.94 4.86 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.419 0.526 . . . . 0.36 112.419 -168.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.578 ' HB3' HH11 ' A' ' 5' ' ' ARG . 86.6 p -143.99 153.96 42.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.642 -0.708 . . . . 1.08 109.806 175.704 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.457 ' HA ' HG23 ' A' ' 69' ' ' VAL . 54.1 p90 -141.1 154.35 45.88 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.431 -0.349 . . . . 0.41 110.854 -178.747 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.505 ' HG3' ' CG2' ' A' ' 69' ' ' VAL . 47.5 mtm180 -106.05 138.15 42.73 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.393 -0.595 . . . . 3.07 109.393 172.196 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.445 HD11 ' CZ2' ' A' ' 30' ' ' TRP . 14.8 mt -108.33 122.48 47.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.942 0.401 . . . . 1.04 111.906 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.458 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 33.8 m-20 -83.95 166.78 31.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 108.731 -0.841 . . . . 1.87 108.731 172.009 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.458 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 16.3 Cg_exo -68.12 -8.94 24.24 Favored 'Trans proline' 0 N--CA 1.464 -0.213 0 C-N-CA 122.77 2.313 . . . . 1.62 112.493 -174.481 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -90.52 -11.16 41.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.143 -0.48 . . . . 2.43 110.825 179.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.22 24.68 21.43 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.818 -0.706 . . . . 1.08 111.467 -176.175 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.521 ' HA ' ' CE ' ' A' ' 65' ' ' MET . 8.6 mmt -84.54 131.42 34.63 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 109.637 -0.505 . . . . 2.74 109.637 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -113.9 103.86 11.59 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.727 -0.472 . . . . 0.54 109.727 -174.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.86 126.96 52.47 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 116.122 -0.49 . . . . 0.71 110.138 -176.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.411 ' HB3' ' HD3' ' A' ' 40' ' ' PRO . 36.5 tp -70.09 124.7 24.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.585 -0.734 . . . . 1.18 110.472 -176.19 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.505 ' CG2' ' HG3' ' A' ' 59' ' ' ARG . 22.0 t -96.45 -55.41 6.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.179 0.514 . . . . 1.01 110.332 -178.003 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.2 p -142.11 158.93 43.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.507 -0.77 . . . . 0.42 109.388 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.789 HG23 ' HB3' ' A' ' 56' ' ' PHE . 9.8 p -156.52 129.52 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.136 0.493 . . . . 0.32 110.155 176.663 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -125.94 130.71 23.93 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.18 -0.464 . . . . 0.29 110.229 178.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.572 ' HA ' HG12 ' A' ' 54' ' ' VAL . 50.4 Cg_exo -53.77 122.6 11.62 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.74 2.293 . . . . 0.81 111.635 176.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 53' ' ' ARG . 3.1 pt20 -112.86 176.54 4.97 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.418 -0.586 . . . . 1.08 109.418 -179.292 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.428 ' N ' ' HG3' ' A' ' 74' ' ' GLN . 24.5 m . . . . . 0 C--N 1.314 -0.978 0 CA-C-N 115.948 -0.569 . . . . 1.64 111.024 -175.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo . . . . . 0 C--O 1.235 0.352 0 CA-C-O 120.874 0.281 . . . . 0.95 112.569 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -85.43 133.85 34.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.975 -0.557 . . . . 1.13 110.802 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.43 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 59.5 m-70 -127.67 142.74 51.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.214 -1.032 . . . . 0.55 108.214 174.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.473 ' HG2' ' HB3' ' A' ' 57' ' ' SER . 51.2 mtt180 -95.14 147.62 23.25 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.677 -0.409 . . . . 2.51 110.94 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -152.92 145.93 24.57 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.895 -0.593 . . . . 0.41 111.139 -179.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.6 m -114.56 149.42 16.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 115.533 -0.758 . . . . 0.24 109.929 172.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.423 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -172.53 -178.7 42.84 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.091 -1.052 . . . . 0.28 112.776 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -112.28 130.41 55.95 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.69 -0.485 . . . . 3.19 109.69 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.52 HD11 HG21 ' A' ' 54' ' ' VAL . 31.5 mm -65.92 136.95 25.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.237 -0.438 . . . . 0.23 111.679 -175.332 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.558 ' HG3' HG23 ' A' ' 34' ' ' THR . 14.0 mm100 -97.8 -48.82 5.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.033 -0.531 . . . . 1.13 110.11 175.397 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.8 m -161.76 146.26 12.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.906 -0.588 . . . . 0.75 110.442 -178.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.543 HD11 ' HA ' ' A' ' 49' ' ' LYS . 64.0 mt -98.07 143.29 13.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.488 -0.324 . . . . 0.77 110.569 176.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.591 ' H ' ' HB3' ' A' ' 18' ' ' LEU . . . -129.63 169.52 20.77 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.837 -0.619 . . . . 1.06 111.651 176.536 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -65.21 -44.7 87.48 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.284 0.475 . . . . 2.51 112.284 -175.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.515 ' HD3' ' H ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -120.26 -9.75 9.47 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.946 0.403 . . . . 3.93 110.986 -176.767 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.404 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 12.8 p -157.32 152.3 25.82 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.928 -0.578 . . . . 0.94 109.725 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.591 ' HB3' ' H ' ' A' ' 14' ' ' GLY . 0.4 OUTLIER -145.76 150.05 35.51 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 120.982 0.42 . . . . 1.03 111.633 -176.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.592 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 61.2 mt -93.78 125.54 46.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.609 -0.723 . . . . 0.56 111.24 -173.315 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 71.9 mt -126.17 128.09 71.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.829 -0.623 . . . . 0.21 110.358 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.33 90.64 5.58 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.08 -0.711 . . . . 0.22 109.08 174.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.423 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 29.0 p80 -86.23 153.01 22.32 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.449 -0.796 . . . . 0.27 110.141 -178.026 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -70.13 -164.97 0.08 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.907 -0.588 . . . . 3.05 110.545 176.039 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.561 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -52.22 -56.29 15.65 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.531 0.567 . . . . 1.5 112.531 -174.201 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.411 HG22 ' H ' ' A' ' 28' ' ' ALA . 24.9 mt 74.01 92.45 0.05 OUTLIER Pre-proline 0 C--N 1.322 -0.63 0 O-C-N 123.797 0.686 . . . . 0.63 110.93 -176.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -71.42 -17.8 30.21 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.384 2.056 . . . . 0.97 111.922 178.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.43 ' CB ' ' HB3' ' A' ' 4' ' ' HIS . 20.4 m -75.54 -23.3 56.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.778 -0.646 . . . . 1.1 111.718 -177.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.411 ' H ' HG22 ' A' ' 25' ' ' ILE . . . -114.22 -2.68 13.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.422 -0.353 . . . . 0.89 110.868 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 61.88 37.17 15.49 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.584 -0.734 . . . . 2.21 110.775 -178.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 45.7 m0 -95.63 172.85 7.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.077 -0.51 . . . . 1.02 110.155 177.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -125.15 32.94 3.81 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.598 -0.81 . . . . 1.67 112.614 -177.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.561 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 73.86 123.61 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.44 0.696 . . . . 0.57 111.474 -178.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -169.69 151.71 4.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.013 -0.54 . . . . 0.84 110.649 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.558 HG23 ' HG3' ' A' ' 11' ' ' GLN . 79.7 m -80.49 104.97 11.39 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.56 -0.745 . . . . 0.75 110.557 -179.206 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.4 tpp -130.47 158.26 40.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.129 -0.487 . . . . 1.6 110.597 -177.22 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.592 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 36.7 tt0 -96.84 140.82 30.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.487 -178.15 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.528 ' HB3' ' HB2' ' A' ' 68' ' ' LEU . 94.9 m-85 -114.77 148.19 38.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.033 -0.531 . . . . 0.37 110.075 179.411 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.05 135.09 35.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.283 -0.417 . . . . 0.34 110.68 -175.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.38 143.74 76.82 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.131 -0.486 . . . . 0.6 111.615 -177.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -81.02 168.4 17.24 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 122.787 2.324 . . . . 1.1 111.422 175.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -61.42 -11.79 21.23 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.806 2.337 . . . . 2.05 112.438 178.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.87 -19.85 59.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.004 -0.544 . . . . 1.33 111.141 178.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.99 174.63 49.13 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 120.856 -0.688 . . . . 0.93 111.777 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.448 ' HG ' HD21 ' A' ' 18' ' ' LEU . 2.3 mm? -98.17 134.34 22.14 Favored Pre-proline 0 C--N 1.318 -0.798 0 CA-C-O 120.744 0.307 . . . . 0.97 110.739 179.33 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.418 ' HD2' HD21 ' A' ' 48' ' ' LEU . 43.5 Cg_endo -77.91 -167.27 0.47 Allowed 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 122.952 2.434 . . . . 0.69 111.662 173.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.74 156.63 26.84 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.709 -0.678 . . . . 2.12 109.693 178.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.41 20.27 18.13 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.006 -0.616 . . . . 0.63 111.576 -177.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.629 ' HB3' HG11 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -139.97 45.09 1.9 Allowed 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 111.982 0.364 . . . . 1.06 111.982 -176.926 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.543 ' HA ' HD11 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -96.14 171.33 8.67 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.809 -0.357 . . . . 3.0 110.668 -177.577 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.22 113.69 0.47 Allowed 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.795 0.685 . . . . 0.37 112.229 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.32 -17.3 26.49 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.865 -0.683 . . . . 0.38 113.35 177.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -82.87 153.29 25.2 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 117.379 0.59 . . . . 0.53 110.769 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 46.2 ttt-85 -105.35 123.35 47.71 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 108.74 -0.837 . . . . 3.26 108.74 172.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.629 HG11 ' HB3' ' A' ' 48' ' ' LEU . 7.6 m -124.23 154.03 30.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 120.963 0.411 . . . . 0.3 111.306 -177.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.85 115.68 30.26 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.987 -0.745 . . . . 0.16 108.987 177.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.606 ' HB3' HG23 ' A' ' 71' ' ' VAL . 42.3 p90 -134.95 165.08 26.16 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.784 0.661 . . . . 0.36 112.784 -170.092 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.473 ' HB3' ' HG2' ' A' ' 5' ' ' ARG . 87.9 p -127.26 135.66 50.91 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.082 -0.963 . . . . 1.08 109.256 174.1 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -135.99 152.54 51.04 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.332 -0.394 . . . . 0.41 110.33 -178.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -104.36 143.08 33.47 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.645 -0.502 . . . . 3.07 109.645 177.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.9 mt -117.37 125.41 50.96 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.998 -0.546 . . . . 1.04 111.295 -176.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.532 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 28.4 m-20 -93.15 163.96 23.24 Favored Pre-proline 0 C--N 1.317 -0.836 0 N-CA-C 109.362 -0.607 . . . . 1.87 109.362 174.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.41 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 24.7 Cg_exo -64.09 -16.74 56.63 Favored 'Trans proline' 0 CA--C 1.528 0.197 0 C-N-CA 123.221 2.614 . . . . 1.62 113.245 -173.655 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -80.87 -12.23 59.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.919 0.39 . . . . 2.43 110.786 176.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.66 31.0 8.53 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 110.962 -0.855 . . . . 1.08 110.962 -174.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.532 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 22.6 mmt -85.13 110.75 19.2 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.831 -0.433 . . . . 2.74 109.831 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.18 98.43 11.29 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.526 -0.761 . . . . 0.54 109.559 -176.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.05 106.64 17.23 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.509 -0.769 . . . . 0.71 110.777 -173.117 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.528 ' HB2' ' HB3' ' A' ' 37' ' ' PHE . 2.9 tm? -68.21 128.04 35.12 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.417 -0.811 . . . . 1.18 109.27 -179.122 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.4 t -99.67 -57.07 4.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.169 0.509 . . . . 1.01 110.368 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.2 p -145.21 143.74 30.45 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.514 -0.766 . . . . 0.42 110.344 -177.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.606 HG23 ' HB3' ' A' ' 56' ' ' PHE . 7.7 p -138.4 128.0 33.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.115 0.483 . . . . 0.32 109.931 178.426 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.21 124.61 34.12 Favored Pre-proline 0 C--N 1.318 -0.764 0 CA-C-N 116.128 -0.487 . . . . 0.29 110.011 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.459 ' HA ' HG12 ' A' ' 54' ' ' VAL . 40.2 Cg_exo -57.52 109.43 0.47 Allowed 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.362 2.041 . . . . 0.81 111.053 175.508 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.446 ' HG2' ' HA ' ' A' ' 54' ' ' VAL . 17.4 pt20 -109.28 179.48 4.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.56 -0.745 . . . . 1.08 109.657 -178.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 6.1 m . . . . . 0 C--N 1.312 -1.034 0 CA-C-N 115.736 -0.665 . . . . 1.64 109.474 -173.435 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.493 ' HD2' ' O ' ' A' ' 60' ' ' LEU . 42.3 Cg_endo . . . . . 0 C--O 1.235 0.374 0 CA-C-O 121.221 0.425 . . . . 0.95 112.118 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -89.51 114.85 26.44 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.264 -0.88 . . . . 1.13 110.102 -178.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.402 ' NE2' ' HB2' ' A' ' 2' ' ' PRO . 79.7 m-70 -118.43 145.88 44.88 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.424 -0.584 . . . . 0.55 109.424 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.424 ' HA ' ' HA ' ' A' ' 57' ' ' SER . 38.1 mtt180 -89.07 151.14 22.41 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.907 0.385 . . . . 2.51 110.93 177.196 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.454 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . . . -151.81 149.49 29.08 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.893 -0.594 . . . . 0.41 110.278 179.061 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.0 m -119.54 148.55 22.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 116.325 -0.398 . . . . 0.24 110.106 176.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.496 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -174.51 -166.44 32.48 Favored Glycine 0 N--CA 1.442 -0.935 0 C-N-CA 120.484 -0.865 . . . . 0.28 112.222 178.12 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -124.17 135.14 53.26 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.858 -0.793 . . . . 3.19 108.858 -178.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.693 HD11 HG21 ' A' ' 54' ' ' VAL . 47.4 mm -67.04 129.57 31.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 120.816 0.341 . . . . 0.23 110.947 -173.49 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -90.03 -54.31 4.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.573 -0.74 . . . . 1.13 109.677 -178.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.6 m -162.67 147.34 11.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.75 110.32 177.066 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.774 HD11 ' HA ' ' A' ' 49' ' ' LYS . 80.9 mt -95.25 141.93 14.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.425 -0.352 . . . . 0.77 110.356 178.533 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -109.62 -142.6 9.64 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 111.541 -0.624 . . . . 1.06 111.541 175.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -122.91 -22.67 5.2 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.969 0.414 . . . . 2.51 110.72 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.453 ' HE ' ' HB2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -136.1 -7.58 2.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.213 -0.449 . . . . 3.93 110.396 178.859 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.546 ' CB ' ' HA ' ' A' ' 38' ' ' ALA . 13.5 m -155.3 177.38 11.42 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.988 -1.116 . . . . 0.94 107.988 173.066 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.494 ' HB3' ' HA ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -159.57 152.09 21.3 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.99 0.424 . . . . 1.03 110.806 176.866 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.508 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 14.5 mt -95.91 133.4 37.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.784 -0.643 . . . . 0.56 110.123 -174.373 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 79.0 mt -131.31 124.6 55.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.101 -0.5 . . . . 0.21 110.658 -178.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.649 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -72.15 91.35 1.27 Allowed 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.279 -0.637 . . . . 0.22 109.279 170.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.496 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 29.9 p80 -91.18 154.35 19.38 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.148 -0.478 . . . . 0.27 111.241 -175.514 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -67.64 -171.24 0.18 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.152 -0.931 . . . . 3.05 110.939 174.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.73 -31.6 72.9 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.217 0.451 . . . . 1.5 112.217 -176.115 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 57.7 mt 67.3 95.31 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 121.124 0.488 . . . . 0.63 111.158 178.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -70.45 -14.72 34.19 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.417 2.078 . . . . 0.97 112.226 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 43.8 m -83.41 -11.62 57.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.727 -0.669 . . . . 1.1 111.384 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.21 -9.64 7.58 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.84 -0.344 . . . . 0.89 111.806 -178.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 60.69 40.6 16.13 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.316 0.579 . . . . 2.21 110.091 -175.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 32.7 m0 -101.52 176.17 5.32 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.325 -0.852 . . . . 1.02 111.348 -177.085 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -102.99 168.16 17.79 Favored Glycine 0 N--CA 1.438 -1.204 0 CA-C-N 115.137 -0.938 . . . . 1.67 111.375 172.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.17 114.07 17.81 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.737 -0.468 . . . . 0.57 109.737 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -158.37 147.91 19.51 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.077 -0.51 . . . . 0.84 111.274 -174.169 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.649 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 20.3 m -76.26 106.53 7.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.367 -0.833 . . . . 0.75 110.436 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 63.4 mtp -122.31 165.18 16.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.066 -0.516 . . . . 1.6 111.569 -178.221 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.508 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 40.0 tt0 -97.75 136.81 37.57 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.24 -0.891 . . . . 1.0 110.464 -179.08 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.45 ' HB3' ' HB2' ' A' ' 68' ' ' LEU . 97.0 m-85 -119.63 118.4 30.87 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.973 -0.558 . . . . 0.37 110.175 176.488 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.546 ' HA ' ' CB ' ' A' ' 17' ' ' SER . . . -67.78 137.01 55.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.481 -0.782 . . . . 0.34 110.384 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.429 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . . . -81.48 146.66 57.86 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.489 -0.323 . . . . 0.6 110.819 -177.503 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 39' ' ' ALA . 22.5 Cg_exo -64.89 150.53 88.0 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 122.345 2.03 . . . . 1.1 110.841 174.326 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -56.54 -16.41 18.64 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.869 2.379 . . . . 2.05 112.373 178.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.86 -30.69 70.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 1.33 111.14 176.037 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 109.23 -179.42 20.98 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.91 -0.662 . . . . 0.93 112.091 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -99.47 146.31 31.57 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-O 120.776 0.322 . . . . 0.97 111.535 -178.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.681 ' HD2' HD21 ' A' ' 48' ' ' LEU . 61.3 Cg_endo -85.73 -164.26 0.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 123.368 2.712 . . . . 0.69 111.769 170.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.04 150.47 38.59 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.47 -0.787 . . . . 2.12 110.291 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.93 17.02 19.93 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.918 -0.583 . . . . 0.63 112.088 178.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.815 HD23 HG11 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -127.67 49.27 2.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.645 0.26 . . . . 1.06 111.549 -177.656 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.774 ' HA ' HD11 ' A' ' 13' ' ' ILE . 5.1 ptpp? -95.36 167.31 11.42 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.711 -0.396 . . . . 3.0 110.282 -174.115 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.02 110.53 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.819 -0.628 . . . . 0.37 111.182 178.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.93 -23.56 9.94 Favored Glycine 0 N--CA 1.441 -1.006 0 C-N-CA 120.741 -0.743 . . . . 0.38 112.686 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.429 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 12.4 m-20 -71.09 146.64 49.13 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.38 0.61 . . . . 0.53 110.592 -179.421 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.06 119.29 38.58 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 107.959 -1.126 . . . . 3.26 107.959 175.225 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.731 ' HA ' ' H ' ' A' ' 74' ' ' GLN . 15.4 m -128.93 156.43 41.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.159 0.504 . . . . 0.3 111.647 -172.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -115.83 121.22 41.76 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.601 -0.888 . . . . 0.16 108.601 174.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.767 ' HB3' HG23 ' A' ' 71' ' ' VAL . 33.7 p90 -134.58 173.02 12.12 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.339 0.59 . . . . 0.36 112.316 -169.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' A' ' 5' ' ' ARG . 20.6 p -134.1 141.25 47.08 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.456 -0.793 . . . . 1.08 109.584 175.532 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.445 ' HA ' HG23 ' A' ' 69' ' ' VAL . 40.5 p90 -138.95 164.3 30.08 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.187 -0.301 . . . . 0.41 110.187 -178.006 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.479 ' HG3' ' CG2' ' A' ' 69' ' ' VAL . 21.4 mtm180 -117.15 140.94 48.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.814 0.34 . . . . 3.07 110.316 177.225 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.493 ' O ' ' HD2' ' A' ' 2' ' ' PRO . 15.6 mt -90.06 122.88 33.45 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.725 -0.67 . . . . 1.04 109.975 173.172 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.431 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 28.3 m-20 -86.32 166.42 28.33 Favored Pre-proline 0 C--N 1.316 -0.861 0 N-CA-C 109.23 -0.656 . . . . 1.87 109.23 177.575 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.431 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 15.7 Cg_exo -69.29 1.21 4.32 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 123.008 2.472 . . . . 1.62 113.241 -173.205 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.9 m170 -104.44 -6.84 20.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.368 0.604 . . . . 2.43 110.265 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.6 27.95 15.82 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.155 -0.93 . . . . 1.08 111.342 -178.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 95.7 mmm -99.57 153.42 19.06 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.56 -0.32 . . . . 2.74 110.29 -178.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.72 98.28 6.43 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.467 0.651 . . . . 0.54 109.561 -173.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.538 HG23 ' HB3' ' A' ' 38' ' ' ALA . 4.0 m -105.77 126.59 52.34 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.488 -0.778 . . . . 0.71 110.117 -176.203 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.48 HD11 ' HB2' ' A' ' 56' ' ' PHE . 36.8 tp -71.76 145.24 48.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.623 -0.717 . . . . 1.18 110.969 -173.422 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.479 ' CG2' ' HG3' ' A' ' 59' ' ' ARG . 46.7 t -106.88 -63.96 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.984 -0.553 . . . . 1.01 109.704 176.476 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.9 p -143.64 153.13 42.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.185 -0.461 . . . . 0.42 110.596 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.815 HG11 HD23 ' A' ' 48' ' ' LEU . 10.4 p -136.28 140.83 42.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.464 -0.569 . . . . 0.32 109.464 177.712 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -130.83 141.75 43.08 Favored Pre-proline 0 C--N 1.319 -0.718 0 N-CA-C 109.989 -0.375 . . . . 0.29 109.989 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -61.42 110.53 0.93 Allowed 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.545 2.163 . . . . 0.81 112.55 -178.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.731 ' H ' ' HA ' ' A' ' 54' ' ' VAL . 1.6 tt0 -77.31 174.06 11.21 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 115.537 -0.756 . . . . 1.08 109.225 174.291 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.32 -0.704 0 N-CA-C 112.914 0.709 . . . . 1.64 112.914 -178.656 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo . . . . . 0 C--O 1.235 0.341 0 CA-C-O 120.99 0.329 . . . . 0.95 112.616 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -89.31 136.72 32.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.728 -0.669 . . . . 1.13 110.718 -178.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.457 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 90.4 m-70 -130.48 154.93 47.26 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.536 -0.542 . . . . 0.55 109.536 177.461 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.627 ' HD3' ' HB3' ' A' ' 57' ' ' SER . 26.5 mmt180 -91.51 146.89 23.42 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.701 -0.111 . . . . 2.51 110.701 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -157.03 134.15 10.39 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.32 0.581 . . . . 0.41 112.029 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.489 ' HB ' HE22 ' A' ' 74' ' ' GLN . 18.6 m -120.47 148.54 23.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.706 -0.679 . . . . 0.24 109.572 174.162 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.814 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 177.92 -171.73 44.27 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.06 -1.067 . . . . 0.28 113.042 -179.479 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.496 ' HA ' ' HA ' ' A' ' 53' ' ' ARG . 40.7 ttp-105 -111.84 134.01 53.68 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.792 0.329 . . . . 3.19 110.427 -177.47 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.469 HD11 ' CG2' ' A' ' 54' ' ' VAL . 29.2 mm -72.66 134.18 30.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.985 -0.552 . . . . 0.23 111.014 -176.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.517 ' HB2' ' HB ' ' A' ' 19' ' ' ILE . 13.5 mm100 -91.15 -53.23 4.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.5 -0.318 . . . . 1.13 110.463 176.285 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.588 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 67.2 m -165.4 131.66 2.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.43 . . . . 0.75 109.885 -178.659 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.882 ' HA ' ' HB3' ' A' ' 18' ' ' LEU . 66.5 mt -95.11 124.55 47.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.144 0.497 . . . . 0.77 110.824 177.132 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -96.86 -159.72 31.64 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.24 -0.891 . . . . 1.06 111.571 178.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -79.74 -40.67 28.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.106 0.479 . . . . 2.51 110.311 -178.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -138.68 9.08 2.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.875 -0.602 . . . . 3.93 111.662 -178.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.0 p -155.74 146.7 22.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.263 -0.426 . . . . 0.94 110.515 177.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.882 ' HB3' ' HA ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -142.3 145.2 33.73 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.964 0.412 . . . . 1.03 110.902 179.492 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.704 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 12.3 mt -91.28 128.52 42.99 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.044 0 N-CA-C 109.124 -0.695 . . . . 0.56 109.124 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 57.8 mt -128.11 124.81 63.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-O 120.925 0.393 . . . . 0.21 110.614 -178.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.56 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -84.18 89.61 7.35 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.759 -0.83 . . . . 0.22 108.759 173.353 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.814 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 28.2 p80 -90.44 153.66 20.23 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.653 -0.703 . . . . 0.27 110.798 -176.373 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -68.77 -166.24 0.07 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.313 -0.858 . . . . 3.05 110.828 176.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.532 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -52.06 -50.91 60.58 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.271 0.841 . . . . 1.5 113.271 -172.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.516 HG23 ' O ' ' A' ' 5' ' ' ARG . 24.6 mt 75.48 91.76 0.05 OUTLIER Pre-proline 0 C--N 1.321 -0.64 0 O-C-N 123.59 0.556 . . . . 0.63 110.583 -174.325 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -76.33 -0.49 10.44 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.354 2.036 . . . . 0.97 112.114 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.457 ' HB2' ' HB3' ' A' ' 4' ' ' HIS . 15.6 m -88.2 -20.89 24.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.919 -0.582 . . . . 1.1 110.747 177.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.66 -2.2 8.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.545 -0.298 . . . . 0.89 111.696 -176.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 66.1 25.51 10.79 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.512 0.507 . . . . 2.21 111.316 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 49.2 m0 -83.85 172.19 12.38 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.785 -0.45 . . . . 1.02 109.785 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.42 44.58 1.22 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.681 -0.771 . . . . 1.67 113.11 -176.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.532 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 70.65 125.21 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.128 0.571 . . . . 0.57 111.699 177.543 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 22.4 ptp -168.13 145.47 4.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.984 -0.553 . . . . 0.84 110.878 -176.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.56 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 23.9 m -85.57 106.09 16.63 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.498 -0.774 . . . . 0.75 109.674 178.36 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 29.4 ttm -129.91 149.29 51.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.353 -0.385 . . . . 1.6 111.087 -175.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.704 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 44.2 tt0 -85.43 135.51 33.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.208 178.199 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -114.72 142.16 46.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.012 -0.54 . . . . 0.37 110.079 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.535 ' HB3' HG23 ' A' ' 67' ' ' THR . . . -84.01 132.55 34.73 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.198 -0.455 . . . . 0.34 109.971 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.6 147.57 33.43 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 116.037 -0.529 . . . . 0.6 111.035 -177.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 23.1 Cg_endo -62.09 148.9 92.3 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.609 2.206 . . . . 1.1 111.3 172.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 40' ' ' PRO . 40.3 Cg_exo -57.66 -15.88 22.44 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.263 2.642 . . . . 2.05 113.243 -178.17 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.55 -25.11 63.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.45 -0.341 . . . . 1.33 111.14 177.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.96 170.77 38.49 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.96 -0.638 . . . . 0.93 112.449 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.445 HD22 ' N ' ' A' ' 44' ' ' LEU . 2.1 mm? -97.39 152.94 38.51 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 110.155 -0.313 . . . . 0.97 110.155 -178.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.433 ' HD2' HD11 ' A' ' 48' ' ' LEU . 1.7 Cg_endo -82.23 -165.95 0.36 Allowed 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 122.909 2.406 . . . . 0.69 111.115 171.1 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -116.54 176.0 5.31 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.468 -0.567 . . . . 2.12 109.468 175.23 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.8 6.25 85.54 Favored Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.336 -0.935 . . . . 0.63 110.928 -176.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.654 HD22 HG13 ' A' ' 71' ' ' VAL . 1.5 pp -147.4 40.26 1.02 Allowed 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 114.679 -0.76 . . . . 1.06 110.01 -178.001 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.401 ' H ' ' HG3' ' A' ' 49' ' ' LYS . 1.5 pptp? -96.94 -175.51 3.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.545 -0.752 . . . . 3.0 111.38 -171.354 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.588 ' HB2' ' HA ' ' A' ' 12' ' ' SER . . . -48.17 113.04 0.66 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.31 -0.405 . . . . 0.37 111.952 179.415 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.61 -23.82 11.73 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.143 -0.551 . . . . 0.38 112.152 -178.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -77.46 148.75 35.23 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 121.091 0.472 . . . . 0.53 111.039 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.496 ' HA ' ' HA ' ' A' ' 9' ' ' ARG . 76.7 ttt180 -111.95 114.48 27.41 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.643 -0.873 . . . . 3.26 108.643 173.656 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.686 HG12 ' HA ' ' A' ' 73' ' ' PRO . 11.8 m -125.76 167.65 19.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.253 -0.43 . . . . 0.3 111.654 -169.268 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.425 ' HA ' HG12 ' A' ' 7' ' ' VAL . . . -114.45 123.9 50.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.658 -0.701 . . . . 0.16 109.812 177.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.664 ' HB3' HG23 ' A' ' 71' ' ' VAL . 20.5 p90 -141.74 -176.53 4.8 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.298 0.57 . . . . 0.36 111.517 -174.101 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.627 ' HB3' ' HD3' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -133.98 -178.22 4.93 Favored 'General case' 0 N--CA 1.438 -1.058 0 N-CA-C 108.484 -0.932 . . . . 1.08 108.484 168.757 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -166.21 162.32 17.42 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 110.141 -0.318 . . . . 0.41 110.141 178.354 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.403 ' HG3' HG11 ' A' ' 69' ' ' VAL . 77.2 mtm180 -119.82 137.74 53.8 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.231 -0.44 . . . . 3.07 110.13 177.024 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 60' ' ' LEU . 17.9 mt -95.87 125.12 40.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.858 -0.61 . . . . 1.04 110.736 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.75 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 5.6 m-20 -89.44 166.39 21.51 Favored Pre-proline 0 C--N 1.32 -0.681 0 N-CA-C 109.28 -0.637 . . . . 1.87 109.28 175.319 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.469 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 17.7 Cg_exo -67.13 -2.73 8.52 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 123.265 2.643 . . . . 1.62 113.459 -172.01 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -102.08 1.46 36.37 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.063 0.459 . . . . 2.43 110.7 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.45 24.21 44.17 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 110.842 -0.903 . . . . 1.08 110.842 -175.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.75 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 91.4 mmm -81.45 132.58 35.33 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 115.27 -0.465 . . . . 2.74 110.247 -177.088 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.76 98.27 7.98 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 109.008 -0.738 . . . . 0.54 109.008 -177.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.535 HG23 ' HB3' ' A' ' 38' ' ' ALA . 1.2 m -105.66 119.81 40.08 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 115.907 -0.588 . . . . 0.71 110.658 -174.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.9 tp -67.46 141.44 56.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.321 -0.854 . . . . 1.18 109.882 -177.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.741 HG23 ' H ' ' A' ' 70' ' ' THR . 9.1 m -109.57 -64.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.752 0.311 . . . . 1.01 111.337 -178.039 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.741 ' H ' HG23 ' A' ' 69' ' ' VAL . 31.7 p -142.69 142.86 32.1 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.037 -0.727 . . . . 0.42 109.037 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.664 HG23 ' HB3' ' A' ' 56' ' ' PHE . 10.7 p -136.19 138.55 46.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.022 0.439 . . . . 0.32 110.705 178.172 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -127.7 142.33 43.86 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.628 -0.714 . . . . 0.29 109.933 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.686 ' HA ' HG12 ' A' ' 54' ' ' VAL . 30.0 Cg_endo -64.0 127.38 19.27 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.477 2.118 . . . . 0.81 111.902 179.246 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.489 HE22 ' HB ' ' A' ' 7' ' ' VAL . 9.3 pt20 -129.14 178.25 6.56 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.403 -0.592 . . . . 1.08 109.403 178.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.8 m . . . . . 0 C--N 1.316 -0.885 0 N-CA-C 108.898 -0.779 . . . . 1.64 108.898 -177.864 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.435 ' HA3' ' O ' ' A' ' 60' ' ' LEU . . . . . . . . 0 N--CA 1.484 1.837 0 N-CA-C 111.888 -0.485 . . . . 1.67 111.888 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.421 ' HD2' ' O ' ' A' ' 60' ' ' LEU . 33.5 Cg_endo -64.65 147.51 90.03 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.923 2.415 . . . . 0.95 112.485 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -96.28 133.13 41.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.924 -0.58 . . . . 1.13 110.007 -178.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -127.14 156.9 41.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.465 -0.334 . . . . 0.55 110.133 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.421 ' O ' HG23 ' A' ' 25' ' ' ILE . 20.4 tpt180 -89.17 141.12 28.8 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.917 -0.401 . . . . 2.51 109.917 178.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -148.21 126.91 12.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.252 0.548 . . . . 0.41 111.199 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.533 ' HB ' HE22 ' A' ' 74' ' ' GLN . 17.6 m -111.94 150.74 14.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.92 -0.582 . . . . 0.24 110.075 174.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.709 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 176.72 -173.69 46.48 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.187 -1.006 . . . . 0.28 112.763 178.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.4 ttp85 -111.22 132.49 54.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.835 0.35 . . . . 3.19 110.073 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.513 HD11 ' CG2' ' A' ' 54' ' ' VAL . 39.8 mm -66.56 124.76 22.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.028 -0.533 . . . . 0.23 110.335 -177.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.4 tp60 -89.93 -48.76 7.01 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.956 -0.566 . . . . 1.13 109.601 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.468 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 37.6 m -160.52 149.31 16.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.848 -0.614 . . . . 0.75 110.097 178.059 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.6 HD11 ' HA ' ' A' ' 49' ' ' LYS . 34.6 mt -102.82 142.11 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.88 0.372 . . . . 0.77 110.784 177.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.51 ' H ' ' HB3' ' A' ' 18' ' ' LEU . . . -121.98 -174.07 14.55 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.773 -0.649 . . . . 1.06 112.297 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.721 ' HG3' ' HG3' ' A' ' 16' ' ' ARG . 8.9 pt-20 -70.96 -44.1 66.73 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 122.438 0.295 . . . . 2.51 111.715 -176.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.721 ' HG3' ' HG3' ' A' ' 15' ' ' GLU . 3.9 ppt_? -143.0 8.5 1.67 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.381 0.61 . . . . 3.93 110.897 178.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.458 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 17.4 p -156.03 147.73 22.94 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.378 -0.828 . . . . 0.94 108.784 174.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.644 HD21 ' HG ' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -147.01 146.5 30.07 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 116.195 -0.457 . . . . 1.03 111.1 -175.727 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.677 HG22 HG22 ' A' ' 34' ' ' THR . 15.9 mt -91.56 126.84 44.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.687 -0.688 . . . . 0.56 110.181 -176.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.2 mt -125.37 126.19 70.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.727 -0.669 . . . . 0.21 110.167 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.79 89.26 2.86 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.052 -0.722 . . . . 0.22 109.052 171.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.709 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 28.3 p80 -87.61 153.25 21.54 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.755 -0.657 . . . . 0.27 110.685 -178.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.417 ' O ' HG13 ' A' ' 25' ' ' ILE . 48.3 mt-10 -71.25 -170.01 0.44 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.48 -0.782 . . . . 3.05 109.969 175.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.418 ' O ' ' HB ' ' A' ' 25' ' ' ILE . . . -57.91 -36.26 72.2 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.842 0.682 . . . . 1.5 112.842 -172.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.421 HG23 ' O ' ' A' ' 5' ' ' ARG . 48.2 mt 69.13 89.6 0.09 OUTLIER Pre-proline 0 C--N 1.319 -0.742 0 CA-C-O 121.144 0.497 . . . . 0.63 110.744 -177.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -70.87 -5.12 16.18 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 123.061 2.507 . . . . 0.97 112.165 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.4 m -87.82 -18.14 29.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.167 -0.47 . . . . 1.1 111.124 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.96 -6.06 8.46 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.935 0.346 . . . . 0.89 111.935 -176.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 58.79 45.31 15.73 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.764 0.792 . . . . 2.21 109.906 -177.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 29.7 m0 -105.74 175.62 5.44 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.689 -1.141 . . . . 1.02 110.488 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.442 ' O ' ' HG2' ' A' ' 33' ' ' MET . . . -106.77 163.57 13.39 Favored Glycine 0 N--CA 1.44 -1.095 0 N-CA-C 110.889 -0.884 . . . . 1.67 110.889 171.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.07 123.31 20.73 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.702 0.287 . . . . 0.57 110.285 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.442 ' HG2' ' O ' ' A' ' 31' ' ' GLY . 2.6 ptt? -164.54 153.83 13.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.193 0.52 . . . . 0.84 111.58 -175.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.677 HG22 HG22 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -78.38 106.94 10.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.012 -0.995 . . . . 0.75 110.101 179.731 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 37.8 ttm -129.92 147.83 51.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.493 -0.321 . . . . 1.6 111.616 -176.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.535 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 40.4 tt0 -86.62 136.3 33.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.828 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -116.88 139.72 50.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.079 -0.51 . . . . 0.37 110.079 176.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.7 133.43 34.02 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.458 -0.337 . . . . 0.34 110.45 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.427 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . . . -93.22 149.04 36.76 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.432 -0.349 . . . . 0.6 111.013 -178.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 39' ' ' ALA . 17.6 Cg_exo -67.01 159.55 51.46 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.735 2.29 . . . . 1.1 111.529 174.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -62.67 -4.62 5.97 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 122.954 2.436 . . . . 2.05 113.189 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.89 -15.48 51.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.882 0.373 . . . . 1.33 111.066 178.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.39 179.77 45.13 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.833 -0.699 . . . . 0.93 112.457 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.644 ' HG ' HD21 ' A' ' 18' ' ' LEU . 2.6 mm? -103.1 150.79 38.2 Favored Pre-proline 0 C--N 1.318 -0.761 0 CA-C-O 120.994 0.426 . . . . 0.97 111.074 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 5.1 Cg_exo -80.1 -163.53 0.23 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 123.597 2.865 . . . . 0.69 111.884 171.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.06 170.27 8.78 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.212 -0.904 . . . . 2.12 110.014 177.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.15 13.38 74.37 Favored Glycine 0 N--CA 1.454 -0.143 0 C-N-CA 121.075 -0.583 . . . . 0.63 111.65 -177.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.705 ' HB3' HG11 ' A' ' 54' ' ' VAL . 0.9 OUTLIER -140.95 42.81 1.82 Allowed 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 121.21 0.529 . . . . 1.06 110.526 -178.155 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.6 ' HA ' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -96.52 172.02 8.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.821 -0.627 . . . . 3.0 110.283 -176.678 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.468 ' HB2' ' HA ' ' A' ' 12' ' ' SER . . . -50.84 106.51 0.13 Allowed 'General case' 0 C--O 1.231 0.126 0 CA-C-O 121.02 0.438 . . . . 0.37 110.957 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.75 -15.23 7.52 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.584 -0.735 . . . . 0.38 112.114 -177.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -89.93 157.65 17.77 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 121.294 0.569 . . . . 0.53 111.105 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.454 ' HD3' ' HA ' ' A' ' 76' ' ' GLN . 23.2 ttt180 -117.57 122.63 44.16 Favored 'General case' 0 N--CA 1.438 -1.028 0 N-CA-C 108.337 -0.986 . . . . 3.26 108.337 172.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.705 HG11 ' HB3' ' A' ' 48' ' ' LEU . 8.4 m -131.27 162.25 39.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.131 0.491 . . . . 0.3 111.585 -174.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -114.38 117.62 31.55 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.572 -0.74 . . . . 0.16 109.706 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.557 ' HB2' HD11 ' A' ' 68' ' ' LEU . 7.7 p90 -127.97 168.0 15.89 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.704 0.764 . . . . 0.36 112.496 -173.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.6 p -126.04 140.43 52.6 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.719 -1.128 . . . . 1.08 109.0 172.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.403 ' CE2' ' HG ' ' A' ' 60' ' ' LEU . 11.7 p90 -137.54 154.85 49.76 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.694 0.283 . . . . 0.41 110.319 -177.187 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.498 ' HG3' ' CG2' ' A' ' 69' ' ' VAL . 31.8 mtm180 -104.18 128.01 51.83 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 110.01 -0.367 . . . . 3.07 110.01 178.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 65' ' ' MET . 7.0 mt -96.89 108.04 20.66 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.934 -0.576 . . . . 1.04 110.065 175.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.401 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 6.3 m-20 -80.52 161.54 64.07 Favored Pre-proline 0 C--N 1.311 -1.093 0 N-CA-C 108.519 -0.919 . . . . 1.87 108.519 176.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.401 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 22.2 Cg_exo -63.42 -17.94 62.32 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.919 2.413 . . . . 1.62 112.903 -167.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -77.07 -17.92 58.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.146 -0.479 . . . . 2.43 110.339 -178.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.77 30.45 6.8 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 110.904 -0.879 . . . . 1.08 110.904 -174.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.468 ' O ' HD23 ' A' ' 60' ' ' LEU . 24.5 mmt -95.62 135.61 37.07 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 115.549 -0.325 . . . . 2.74 110.209 -179.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -109.05 98.25 7.74 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.648 -0.706 . . . . 0.54 109.464 -176.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.7 m -107.46 116.85 32.67 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.523 -0.762 . . . . 0.71 110.627 -174.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.557 HD11 ' HB2' ' A' ' 56' ' ' PHE . 29.1 tp -70.53 140.95 51.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.799 -0.637 . . . . 1.18 110.011 -178.127 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.502 HG12 HG23 ' A' ' 70' ' ' THR . 46.4 t -111.99 -64.09 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.391 0.615 . . . . 1.01 110.029 -178.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.502 HG23 HG12 ' A' ' 69' ' ' VAL . 26.7 p -142.8 138.48 30.42 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.35 -0.841 . . . . 0.42 110.124 -176.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.523 ' HB ' ' HB3' ' A' ' 56' ' ' PHE . 7.2 p -133.96 133.05 56.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 121.053 0.454 . . . . 0.32 110.159 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -126.37 143.61 46.58 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.07 -0.513 . . . . 0.29 110.261 -178.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -48.59 124.7 11.29 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 123.247 2.631 . . . . 0.81 113.585 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.945 ' HB2' ' HA ' ' A' ' 78' ' ' ALA . 2.4 pt20 -117.35 176.21 5.26 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 107.18 -1.415 . . . . 1.08 107.18 168.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 p -148.78 85.28 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.246 0 CA-C-O 121.566 0.698 . . . . 1.64 110.347 177.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.454 ' HA ' ' HD3' ' A' ' 53' ' ' ARG . 89.1 mm-40 65.55 110.24 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 114.248 -1.342 . . . . 2.57 111.958 178.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.7 p 52.38 30.93 8.78 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.344 -0.844 . . . . 3.72 111.766 -175.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.945 ' HA ' ' HB2' ' A' ' 74' ' ' GLN . . . 66.42 -75.99 0.05 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 114.94 -1.027 . . . . 3.65 111.908 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 172.76 -156.58 25.21 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.434 -0.666 . . . . 5.36 111.434 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.58 127.51 35.26 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.753 0.311 . . . . 6.59 110.999 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -108.48 127.98 26.46 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.032 -0.531 . . . . 10.72 109.863 176.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo . . . . . 0 C--O 1.247 0.94 0 C-N-CA 122.693 2.262 . . . . 11.77 112.534 179.92 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.639 0 N-CA-C 111.748 -0.541 . . . . 1.67 111.748 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.65 137.1 24.46 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.909 2.406 . . . . 0.95 112.426 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -103.89 111.03 23.39 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.498 -0.774 . . . . 1.13 109.691 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.476 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 58.3 m-70 -100.41 143.33 30.72 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.698 -0.482 . . . . 0.55 109.698 -175.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.408 ' HD3' ' HB3' ' A' ' 57' ' ' SER . 10.6 mmt180 -91.68 147.34 23.07 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.018 -0.364 . . . . 2.51 110.018 177.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -148.98 140.01 22.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.04 0.448 . . . . 0.41 111.101 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.6 m -116.1 152.2 17.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.945 -0.571 . . . . 0.24 109.871 173.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.806 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 172.98 -171.95 44.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.234 -0.984 . . . . 0.28 112.522 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.663 ' HG3' ' HG3' ' A' ' 53' ' ' ARG . 46.5 mtm180 -109.63 130.53 55.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.94 0.4 . . . . 3.19 110.392 -178.013 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.538 HD11 HG21 ' A' ' 54' ' ' VAL . 39.8 mm -65.07 124.62 20.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 115.865 -0.607 . . . . 0.23 110.109 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -83.92 -51.14 7.4 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.31 -0.626 . . . . 1.13 109.31 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.4 m -159.97 163.42 34.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.803 -0.635 . . . . 0.75 110.211 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.821 HG23 HD22 ' A' ' 18' ' ' LEU . 93.1 mt -107.85 139.13 31.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.33 -0.619 . . . . 0.77 109.33 177.164 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -114.57 -162.57 14.11 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.764 -0.732 . . . . 1.06 112.788 -177.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -82.84 -42.16 18.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.156 0.503 . . . . 2.51 110.325 -178.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -139.15 5.89 2.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.807 -0.633 . . . . 3.93 111.244 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 p -155.45 145.77 21.85 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.903 -0.59 . . . . 0.94 109.757 176.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.821 HD22 HG23 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -120.72 141.83 50.08 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 109.383 -0.599 . . . . 1.03 109.383 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.493 HG22 HG22 ' A' ' 34' ' ' THR . 17.3 mt -91.13 126.77 43.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.33 -0.618 . . . . 0.56 109.33 178.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.8 mt -127.64 118.01 48.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.973 -0.558 . . . . 0.21 110.529 -176.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.722 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -73.18 91.03 1.62 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.052 -0.721 . . . . 0.22 109.052 169.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.806 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 25.7 p80 -88.96 151.07 22.52 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.059 -0.519 . . . . 0.27 111.153 -174.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -69.27 -165.18 0.07 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.011 -0.995 . . . . 3.05 111.401 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.578 ' O ' ' HD3' ' A' ' 26' ' ' PRO . . . -70.94 112.74 7.34 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 114.905 -1.043 . . . . 1.5 109.915 175.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.537 HG22 ' H ' ' A' ' 28' ' ' ALA . 60.6 mt -93.24 102.39 7.25 Favored Pre-proline 0 C--N 1.317 -0.838 0 CA-C-N 115.6 -0.727 . . . . 0.63 110.438 178.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.578 ' HD3' ' O ' ' A' ' 24' ' ' ALA . 2.8 Cg_exo -76.38 -8.67 18.59 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.614 2.209 . . . . 0.97 111.782 179.268 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.476 ' HB2' ' HB3' ' A' ' 4' ' ' HIS . 1.4 m -83.61 -25.14 31.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.148 -0.478 . . . . 1.1 110.513 178.223 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.537 ' H ' HG22 ' A' ' 25' ' ' ILE . . . -123.93 0.63 8.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.405 -0.361 . . . . 0.89 111.674 -177.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 64.04 30.39 14.0 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.974 0.416 . . . . 2.21 111.33 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 54.4 m0 -103.2 108.9 20.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.992 0.425 . . . . 1.02 109.891 178.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -89.16 68.87 2.68 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.829 -0.623 . . . . 1.67 113.143 -172.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.431 ' HA ' ' O ' ' A' ' 22' ' ' HIS . . . 70.58 119.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.65 0.738 . . . . 0.57 112.585 174.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.409 ' HG3' ' HG3' ' A' ' 35' ' ' MET . 23.0 ptp -171.77 146.81 2.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.263 -0.88 . . . . 0.84 110.028 178.118 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.722 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 5.4 m -82.13 103.6 11.86 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.239 -0.437 . . . . 0.75 109.888 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.409 ' HG3' ' HG3' ' A' ' 33' ' ' MET . 65.2 mtp -116.98 165.08 13.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.935 0.397 . . . . 1.6 111.851 -175.35 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.425 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 35.7 tt0 -106.34 128.99 54.42 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.287 -0.869 . . . . 1.0 109.983 178.42 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -114.09 129.6 56.61 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.475 -0.33 . . . . 0.37 110.417 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.47 141.07 37.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.075 -0.511 . . . . 0.34 110.909 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.16 145.36 83.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.178 -0.465 . . . . 0.6 111.652 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.45 170.08 19.31 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.609 2.206 . . . . 1.1 111.217 173.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.57 -16.28 35.38 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 122.829 2.353 . . . . 2.05 113.166 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.1 -11.09 56.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.892 0.377 . . . . 1.33 111.256 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.09 -160.52 29.7 Favored Glycine 0 N--CA 1.435 -1.367 0 N-CA-C 111.229 -0.748 . . . . 0.93 111.229 -177.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.67 ' HG ' HD21 ' A' ' 18' ' ' LEU . 2.7 mm? -101.0 142.37 24.48 Favored Pre-proline 0 C--N 1.314 -0.964 0 CA-C-O 120.836 0.351 . . . . 0.97 110.66 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.486 ' HD2' HD21 ' A' ' 48' ' ' LEU . 52.2 Cg_endo -82.96 -160.96 0.13 Allowed 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 122.935 2.424 . . . . 0.69 111.503 170.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -113.05 159.98 18.61 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.729 -0.668 . . . . 2.12 109.343 177.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.03 20.87 24.67 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.779 -0.724 . . . . 0.63 111.88 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.836 HD23 HG11 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -131.61 50.09 2.26 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.975 0.361 . . . . 1.06 111.975 -176.273 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.713 ' HA ' HD11 ' A' ' 13' ' ' ILE . 6.9 ptpp? -95.17 160.98 14.3 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.377 -0.529 . . . . 3.0 111.035 -173.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.04 111.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.405 -0.816 . . . . 0.37 111.3 176.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.23 -9.65 28.93 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.886 -0.673 . . . . 0.38 112.848 178.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.541 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 3.5 m-20 -82.76 144.56 30.1 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 117.138 0.469 . . . . 0.53 110.317 176.111 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.663 ' HG3' ' HG3' ' A' ' 9' ' ' ARG . 12.2 ttt180 -104.28 101.52 11.23 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.173 -1.047 . . . . 3.26 108.173 174.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.538 HG21 HD11 ' A' ' 10' ' ' ILE . 18.3 m -106.84 163.14 5.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 120.938 0.399 . . . . 0.3 111.35 -169.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -113.27 111.59 22.29 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.91 -0.774 . . . . 0.16 108.91 174.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.927 ' HB3' HG23 ' A' ' 71' ' ' VAL . 25.3 p90 -129.92 178.64 6.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.311 0.577 . . . . 0.36 112.506 -170.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.475 ' OG ' ' HB ' ' A' ' 69' ' ' VAL . 66.2 p -136.93 151.46 49.07 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.298 -0.865 . . . . 1.08 110.062 179.031 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.458 ' HA ' HG23 ' A' ' 69' ' ' VAL . 44.5 p90 -145.97 153.6 40.97 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.915 0.388 . . . . 0.41 110.38 177.234 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.464 ' HG3' ' CG2' ' A' ' 69' ' ' VAL . 83.8 mtt180 -114.8 137.3 52.1 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.685 -0.487 . . . . 3.07 109.685 177.102 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 65' ' ' MET . 14.1 mt -90.89 111.42 22.83 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.218 -0.66 . . . . 1.04 109.218 174.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -76.45 162.77 69.71 Favored Pre-proline 0 C--N 1.315 -0.904 0 N-CA-C 108.108 -1.071 . . . . 1.87 108.108 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -68.15 1.91 3.11 Favored 'Trans proline' 0 CA--C 1.527 0.133 0 C-N-CA 122.642 2.228 . . . . 1.62 112.885 -171.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.64 ' HB3' ' HG3' ' A' ' 65' ' ' MET . 17.0 t-80 -101.05 -11.66 19.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.836 -0.62 . . . . 2.43 109.507 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.13 31.56 8.42 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.171 -0.922 . . . . 1.08 111.347 -175.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.64 ' HG3' ' HB3' ' A' ' 63' ' ' HIS . 54.2 mtm -96.34 152.51 18.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.655 -0.272 . . . . 2.74 110.267 -177.055 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.61 97.13 5.83 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 109.073 -0.714 . . . . 0.54 109.073 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.9 m -110.07 125.51 53.04 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.495 -0.775 . . . . 0.71 110.751 -174.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.2 tp -70.43 137.82 50.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.533 -0.758 . . . . 1.18 110.105 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.475 ' HB ' ' OG ' ' A' ' 57' ' ' SER . 22.8 t -102.99 -63.22 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.201 0.524 . . . . 1.01 110.142 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.8 p -139.97 154.26 47.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.613 -0.721 . . . . 0.42 109.673 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.927 HG23 ' HB3' ' A' ' 56' ' ' PHE . 9.8 p -139.45 130.78 33.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.102 -0.703 . . . . 0.32 109.102 173.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -121.42 136.93 26.3 Favored Pre-proline 0 C--N 1.315 -0.915 0 N-CA-C 109.958 -0.386 . . . . 0.29 109.958 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -66.42 103.64 0.68 Allowed 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 122.013 1.809 . . . . 0.81 111.945 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.41 ' HG3' ' N ' ' A' ' 75' ' ' VAL . 8.7 pt20 -105.26 179.35 4.3 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 107.566 -1.272 . . . . 1.08 107.566 172.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.49 HG22 ' H ' ' A' ' 77' ' ' THR . 1.0 OUTLIER -134.25 139.94 47.08 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 N-CA-C 108.492 -0.929 . . . . 1.64 108.492 176.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.406 ' HG3' ' N ' ' A' ' 77' ' ' THR . 10.2 pt20 -38.5 -37.72 0.33 Allowed 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.547 0.943 . . . . 2.57 113.547 -178.177 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.49 ' H ' HG22 ' A' ' 75' ' ' VAL . 35.6 p -62.41 -8.07 5.48 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 113.014 0.746 . . . . 3.72 113.014 -176.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.6 -18.0 58.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.743 0.306 . . . . 3.65 111.042 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -148.13 -35.59 0.05 OUTLIER Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.801 -0.714 . . . . 5.36 112.449 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -100.05 169.71 8.99 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.686 0.279 . . . . 6.59 110.255 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.459 ' NZ ' ' HB3' ' A' ' 81' ' ' LYS . 9.3 mtpm? -102.64 132.33 21.42 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.328 -0.396 . . . . 10.72 110.697 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.407 ' HD3' HG22 ' A' ' 77' ' ' THR . 44.8 Cg_endo . . . . . 0 C--O 1.253 1.268 0 C-N-CA 122.579 2.186 . . . . 11.77 111.27 172.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.439 ' HA2' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.485 1.904 0 N-CA-C 111.878 -0.489 . . . . 1.67 111.878 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.439 ' HD3' ' HA2' ' A' ' 1' ' ' GLY . 3.0 Cg_exo -74.57 -178.0 3.74 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.802 2.335 . . . . 0.95 112.332 -177.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 58' ' ' PHE . 36.9 tt0 -77.69 136.5 38.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.171 -0.468 . . . . 1.13 110.297 178.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -126.21 143.41 51.15 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.886 -0.783 . . . . 0.55 108.886 175.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.582 ' HD2' ' HB3' ' A' ' 57' ' ' SER . 16.7 mmm180 -83.43 133.76 34.91 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.92 -0.4 . . . . 2.51 109.92 177.246 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.459 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . . . -137.51 141.19 41.48 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-O 121.165 0.507 . . . . 0.41 110.603 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.9 m -119.23 149.43 21.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.876 -0.602 . . . . 0.24 109.918 173.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.536 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -179.12 -160.22 24.61 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.578 -0.82 . . . . 0.28 112.284 179.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.2 ttm-85 -128.17 132.18 48.88 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.95 -0.389 . . . . 3.19 109.95 -177.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.591 HD11 HG21 ' A' ' 54' ' ' VAL . 30.4 mm -63.12 131.37 28.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.923 -0.581 . . . . 0.23 110.12 -178.18 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -98.45 -41.85 7.6 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.582 -0.525 . . . . 1.13 109.582 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -155.95 163.44 39.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.923 -0.581 . . . . 0.75 109.587 174.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.436 HG13 ' HD3' ' A' ' 49' ' ' LYS . 14.5 mm -115.7 153.88 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.431 0.634 . . . . 0.77 111.408 -178.105 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.581 ' HA3' ' O ' ' A' ' 17' ' ' SER . . . -149.04 159.61 28.1 Favored Glycine 0 N--CA 1.437 -1.259 0 N-CA-C 110.217 -1.153 . . . . 1.06 110.217 176.09 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.482 ' CD ' ' H ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -72.75 -31.36 64.88 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 120.969 0.414 . . . . 2.51 110.754 -175.816 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.63 -4.96 4.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.093 -0.503 . . . . 3.93 111.974 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.581 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 2.3 p -158.73 137.87 11.42 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.289 -0.263 . . . . 0.94 110.289 176.23 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.612 HD21 ' HG ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -142.36 148.54 38.08 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.256 0.55 . . . . 1.03 111.598 -176.747 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.545 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 38.8 mt -94.29 128.5 45.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.409 -0.814 . . . . 0.56 110.489 -174.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.9 mt -129.1 124.51 60.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.098 0.475 . . . . 0.21 110.96 -178.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.487 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -76.88 92.28 3.63 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.324 -0.621 . . . . 0.22 109.324 171.148 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.536 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 31.5 p80 -92.51 153.28 19.18 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.988 -0.551 . . . . 0.27 110.313 -177.384 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -72.08 -166.03 0.21 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.025 -0.534 . . . . 3.05 110.213 174.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.41 -25.76 66.92 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.954 0.353 . . . . 1.5 111.954 -173.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.9 mt 62.7 83.77 0.2 Allowed Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 120.889 0.376 . . . . 0.63 110.779 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.44 -16.58 55.47 Favored 'Trans proline' 0 CA--C 1.526 0.116 0 C-N-CA 122.602 2.201 . . . . 0.97 112.123 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.3 t -75.46 -22.12 57.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.985 -0.552 . . . . 1.1 110.808 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.3 -3.69 8.43 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.474 0.546 . . . . 0.89 112.474 -174.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 60.27 41.61 16.27 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.47 0.653 . . . . 2.21 110.722 -178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -96.05 176.28 6.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.341 -0.845 . . . . 1.02 110.88 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -102.42 166.75 17.37 Favored Glycine 0 N--CA 1.441 -1.013 0 C-N-CA 120.535 -0.84 . . . . 1.67 111.113 170.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.98 111.14 18.57 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.525 -0.546 . . . . 0.57 109.525 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 6.4 ptt? -158.97 159.29 34.69 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.258 0.551 . . . . 0.84 111.277 -172.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 21.9 m -92.56 104.32 16.64 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.135 -0.939 . . . . 0.75 110.628 -176.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.6 mmm -122.97 163.83 19.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.899 -0.591 . . . . 1.6 111.196 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.545 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 42.6 tt0 -101.22 140.18 35.87 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.701 -0.682 . . . . 1.0 110.934 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -115.54 139.24 50.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.661 -0.7 . . . . 0.37 110.188 -177.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.02 129.23 35.01 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.951 -0.568 . . . . 0.34 109.985 177.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.92 152.64 44.64 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 116.369 -0.378 . . . . 0.6 111.11 -175.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.479 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 36.7 Cg_exo -58.05 145.26 92.67 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.613 2.208 . . . . 1.1 111.448 173.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 40' ' ' PRO . 32.6 Cg_exo -60.32 -14.62 30.6 Favored 'Trans proline' 0 CA--C 1.53 0.323 0 C-N-CA 122.871 2.381 . . . . 2.05 112.617 178.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.29 -3.79 59.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.91 0.386 . . . . 1.33 110.959 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.14 177.62 47.47 Favored Glycine 0 N--CA 1.439 -1.12 0 C-N-CA 120.907 -0.663 . . . . 0.93 112.669 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.612 ' HG ' HD21 ' A' ' 18' ' ' LEU . 2.7 mm? -96.46 157.07 36.04 Favored Pre-proline 0 C--N 1.317 -0.843 0 CA-C-N 115.182 -0.509 . . . . 0.97 110.746 -178.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.541 ' HD2' HD21 ' A' ' 48' ' ' LEU . 12.6 Cg_exo -71.46 -163.78 0.14 Allowed 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.673 2.249 . . . . 0.69 111.727 170.7 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -114.97 156.26 25.39 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.666 -0.697 . . . . 2.12 110.151 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.86 16.19 42.76 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.672 -0.775 . . . . 0.63 112.383 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.541 HD21 ' HD2' ' A' ' 45' ' ' PRO . 0.9 OUTLIER -138.53 53.42 1.79 Allowed 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 121.116 0.484 . . . . 1.06 111.624 -175.705 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.436 ' HD3' HG13 ' A' ' 13' ' ' ILE . 75.7 mmtt -96.3 170.45 9.23 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.343 -0.39 . . . . 3.0 110.867 -177.388 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.2 115.58 1.04 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.779 -0.646 . . . . 0.37 111.374 176.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.19 -15.93 25.18 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.164 -0.541 . . . . 0.38 112.822 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -84.85 157.81 20.81 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.15 0.5 . . . . 0.53 111.795 -177.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.745 ' HD3' ' HA ' ' A' ' 76' ' ' GLN . 26.0 ttt85 -104.01 127.26 51.56 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.418 -0.81 . . . . 3.26 109.013 172.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.604 ' HA ' ' H ' ' A' ' 74' ' ' GLN . 15.7 m -132.36 158.06 43.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.922 0.391 . . . . 0.3 111.361 -177.268 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -115.36 118.18 32.52 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.917 -0.772 . . . . 0.16 108.917 174.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.728 ' HB3' HG23 ' A' ' 71' ' ' VAL . 27.9 p90 -135.54 174.08 11.0 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.56 0.578 . . . . 0.36 112.56 -169.351 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.582 ' HB3' ' HD2' ' A' ' 5' ' ' ARG . 90.0 p -135.83 147.3 48.23 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.336 -0.847 . . . . 1.08 109.232 175.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.413 ' O ' ' HA ' ' A' ' 3' ' ' GLU . 38.5 p90 -141.45 150.25 42.03 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.66 -0.416 . . . . 0.41 111.156 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -104.33 147.03 27.97 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.405 -0.816 . . . . 3.07 109.36 174.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.6 mt -107.33 130.69 54.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.102 0.477 . . . . 1.04 112.023 -175.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.401 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 52.2 m-20 -89.96 166.63 19.66 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.419 -0.809 . . . . 1.87 108.945 172.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.401 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 10.4 Cg_exo -72.2 1.16 6.32 Favored 'Trans proline' 0 N--CA 1.464 -0.234 0 C-N-CA 123.183 2.588 . . . . 1.62 112.485 -177.154 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -99.25 -0.75 40.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.224 -0.444 . . . . 2.43 110.345 175.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.66 24.86 57.72 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 111.102 -0.799 . . . . 1.08 111.102 -175.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.496 ' HA ' ' CE ' ' A' ' 65' ' ' MET . 9.5 mmt -87.88 146.07 25.75 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 109.687 -0.486 . . . . 2.74 109.687 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.27 106.83 13.19 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.168 0.509 . . . . 0.54 109.984 -173.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.15 118.31 34.48 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.904 -0.589 . . . . 0.71 110.267 -177.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.54 HD11 ' HB2' ' A' ' 56' ' ' PHE . 30.7 tp -72.28 114.22 10.17 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.802 -0.635 . . . . 1.18 110.558 -175.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.412 HG23 ' HA ' ' A' ' 58' ' ' PHE . 18.7 t -85.25 -57.75 4.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.815 -0.63 . . . . 1.01 110.137 -177.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.1 p -140.08 148.38 41.66 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.894 -0.594 . . . . 0.42 109.677 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.728 HG23 ' HB3' ' A' ' 56' ' ' PHE . 13.8 p -146.79 123.54 3.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.315 0.579 . . . . 0.32 110.568 173.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -112.95 131.95 22.55 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 115.782 -0.645 . . . . 0.29 110.095 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.593 ' HA ' HG12 ' A' ' 54' ' ' VAL . 55.5 Cg_exo -52.52 114.61 1.75 Allowed 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.826 2.351 . . . . 0.81 111.95 177.269 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.604 ' H ' ' HA ' ' A' ' 54' ' ' VAL . 2.2 tt0 -88.46 174.47 8.1 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.758 -0.655 . . . . 1.08 110.493 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.439 ' O ' ' HG3' ' A' ' 76' ' ' GLN . 5.1 m -137.76 93.01 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.036 0 CA-C-N 114.808 -1.087 . . . . 1.64 108.398 175.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.745 ' HA ' ' HD3' ' A' ' 53' ' ' ARG . 6.9 pt20 48.0 -153.14 0.09 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.32 -0.854 . . . . 2.57 110.722 -174.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.0 m -77.59 101.88 6.74 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 108.536 -0.913 . . . . 3.72 108.536 172.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.9 21.63 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.76 -0.655 . . . . 3.65 112.459 -172.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 144.02 -151.16 23.17 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.644 -0.789 . . . . 5.36 112.091 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -137.46 147.13 45.08 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.216 -0.29 . . . . 6.59 110.216 -178.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 50.9 tttm -104.84 132.74 20.62 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.32 -0.4 . . . . 10.72 110.877 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 81' ' ' LYS . 25.4 Cg_exo . . . . . 0 C--O 1.248 1.007 0 C-N-CA 122.702 2.268 . . . . 11.77 111.274 172.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.406 ' HA3' ' O ' ' A' ' 60' ' ' LEU . . . . . . . . 0 N--CA 1.482 1.733 0 N-CA-C 111.921 -0.472 . . . . 1.67 111.921 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.25 146.45 57.23 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.804 2.336 . . . . 0.95 112.875 -177.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.405 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 33.4 tt0 -112.38 133.06 54.68 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.313 -0.625 . . . . 1.13 109.313 -179.282 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.493 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 91.7 m-70 -134.1 159.46 40.77 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.345 -0.242 . . . . 0.55 110.345 -174.497 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.793 ' HG2' ' HB3' ' A' ' 57' ' ' SER . 50.6 mtt-85 -107.27 158.9 16.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.755 0.312 . . . . 2.51 111.176 178.076 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -158.87 153.73 24.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.611 -0.722 . . . . 0.41 110.168 177.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.475 ' O ' ' HG3' ' A' ' 23' ' ' GLU . 29.1 m -117.75 147.48 21.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.604 -0.517 . . . . 0.24 109.604 173.158 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -169.19 176.17 43.34 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 119.867 -1.158 . . . . 0.28 113.097 -176.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -110.52 129.89 55.69 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.196 -1.038 . . . . 3.19 108.196 175.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.606 HD11 HG21 ' A' ' 54' ' ' VAL . 41.7 mm -60.3 128.09 20.81 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-O 121.126 0.489 . . . . 0.23 110.814 -176.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -88.68 -43.81 11.04 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.438 -0.801 . . . . 1.13 109.496 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.0 t -172.45 158.02 4.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.903 -0.589 . . . . 0.75 110.49 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.826 HG23 HD22 ' A' ' 18' ' ' LEU . 71.5 mt -107.59 134.0 50.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.986 -0.552 . . . . 0.77 110.123 178.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.8 -159.45 20.58 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.126 -0.559 . . . . 1.06 112.418 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.69 -45.77 42.18 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.442 0.639 . . . . 2.51 109.764 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.01 15.05 1.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.056 -0.975 . . . . 3.93 110.738 -177.271 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.567 ' HB2' ' HG2' ' A' ' 36' ' ' GLU . 3.2 p -157.27 142.88 17.43 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.712 -0.676 . . . . 0.94 109.693 179.005 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.826 HD22 HG23 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -125.63 141.13 52.18 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 120.518 -0.473 . . . . 1.03 110.052 -177.749 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.642 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 21.5 mt -88.7 128.58 40.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 108.933 -0.765 . . . . 0.56 108.933 178.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 56.4 mt -126.36 125.52 67.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.592 -0.276 . . . . 0.21 110.693 -177.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.93 91.24 3.01 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.947 -0.76 . . . . 0.22 108.947 172.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -95.98 159.93 14.72 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.75 -0.659 . . . . 0.27 110.583 -177.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 7' ' ' VAL . 1.3 pp20? -65.7 -165.69 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.412 -0.813 . . . . 3.05 111.364 175.179 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.593 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -61.95 -38.81 89.91 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.334 0.494 . . . . 1.5 112.334 -172.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.425 HD12 ' CE3' ' A' ' 30' ' ' TRP . 18.1 mt 70.72 83.49 0.16 Allowed Pre-proline 0 C--N 1.318 -0.774 0 CA-C-N 115.797 -0.638 . . . . 0.63 110.322 -172.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -70.26 -2.03 9.86 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 123.228 2.618 . . . . 0.97 111.383 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.493 ' CB ' ' HB3' ' A' ' 4' ' ' HIS . 16.4 m -89.6 -21.49 22.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.239 -0.891 . . . . 1.1 110.821 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.27 1.72 9.1 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.064 -0.255 . . . . 0.89 111.658 -176.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 64.7 32.72 11.04 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.366 0.416 . . . . 2.21 111.301 177.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.425 ' CE3' HD12 ' A' ' 25' ' ' ILE . 53.5 m0 -95.16 173.05 7.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.332 -0.395 . . . . 1.02 110.268 177.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -125.02 42.71 1.48 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.451 -0.881 . . . . 1.67 113.381 -175.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.593 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 66.3 114.08 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.012 0.525 . . . . 0.57 112.364 175.348 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 19.9 ptt? -163.02 158.07 21.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.119 -0.491 . . . . 0.84 110.834 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.97 104.4 8.51 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 115.73 -0.668 . . . . 0.75 110.983 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 30.2 ttm -120.02 141.99 49.22 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.084 -0.507 . . . . 1.6 111.59 -176.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.642 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 39.8 tt0 -94.02 121.47 35.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.336 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -102.01 136.35 41.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.197 -0.456 . . . . 0.37 110.386 -177.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.89 136.63 40.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.048 -0.524 . . . . 0.34 110.671 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.84 140.42 77.73 Favored Pre-proline 0 C--O 1.235 0.335 0 CA-C-O 120.874 0.368 . . . . 0.6 111.421 -177.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 45.5 Cg_endo -68.78 159.67 52.79 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.744 2.296 . . . . 1.1 111.407 175.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 40' ' ' PRO . 34.4 Cg_exo -59.5 -17.17 39.68 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 123.061 2.508 . . . . 2.05 113.01 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.0 -14.72 53.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.566 -0.288 . . . . 1.33 111.67 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.82 178.43 34.98 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.656 -0.783 . . . . 0.93 111.997 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -96.95 139.63 21.66 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-O 120.991 0.424 . . . . 0.97 110.848 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.488 ' HD2' HD21 ' A' ' 48' ' ' LEU . 51.0 Cg_exo -59.81 -178.59 0.18 Allowed 'Trans proline' 0 CA--C 1.519 -0.259 0 C-N-CA 123.927 3.085 . . . . 0.69 113.482 170.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -114.47 112.5 23.09 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 114.745 -1.116 . . . . 2.12 109.585 177.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 135.71 27.07 0.45 Allowed Glycine 0 C--N 1.31 -0.874 0 CA-C-N 114.703 -1.135 . . . . 0.63 111.633 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.488 HD21 ' HD2' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -135.35 48.98 2.21 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 111.886 0.328 . . . . 1.06 111.886 -176.633 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.586 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 7.7 ptpp? -95.71 167.89 11.0 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.016 -0.364 . . . . 3.0 110.016 -177.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.86 112.0 0.5 Allowed 'General case' 0 C--O 1.233 0.193 0 O-C-N 123.324 0.39 . . . . 0.37 111.202 176.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 110.08 -13.72 31.42 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.849 -0.691 . . . . 0.38 112.928 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.461 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 94.8 m-20 -83.22 140.69 32.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 117.003 0.402 . . . . 0.53 110.183 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.504 ' HB3' ' HG2' ' A' ' 74' ' ' GLN . 0.4 OUTLIER -97.55 123.55 41.48 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.594 -0.521 . . . . 3.26 109.594 174.892 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.671 HG12 ' HA ' ' A' ' 73' ' ' PRO . 15.0 m -128.33 151.39 35.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-O 121.042 0.449 . . . . 0.3 111.448 -176.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.97 123.13 48.63 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.621 -0.881 . . . . 0.16 108.621 174.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.634 ' HB3' HG23 ' A' ' 71' ' ' VAL . 17.8 p90 -141.71 172.43 12.7 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.917 0.71 . . . . 0.36 112.917 -168.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.793 ' HB3' ' HG2' ' A' ' 5' ' ' ARG . 12.4 p -131.46 144.78 51.41 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 114.776 -1.102 . . . . 1.08 109.504 173.329 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -130.39 148.61 52.23 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.232 -0.44 . . . . 0.41 109.972 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 59' ' ' ARG . 22.6 ttp180 -114.77 118.63 34.13 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.986 -0.552 . . . . 3.07 109.864 -178.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.437 HD23 ' O ' ' A' ' 65' ' ' MET . 14.6 mt -89.58 141.6 28.45 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 115.63 -0.714 . . . . 1.04 110.292 -178.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.535 ' CG ' ' HG2' ' A' ' 65' ' ' MET . 8.1 p-10 -103.36 169.64 7.16 Favored Pre-proline 0 C--N 1.316 -0.858 0 N-CA-C 109.68 -0.489 . . . . 1.87 109.68 173.067 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.409 ' CD ' ' HB2' ' A' ' 61' ' ' ASP . 17.4 Cg_exo -65.22 -11.59 30.79 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.879 2.386 . . . . 1.62 111.747 -179.017 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -85.21 -26.97 26.41 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.315 -0.624 . . . . 2.43 109.315 -178.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.01 30.21 5.52 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.337 -0.847 . . . . 1.08 112.723 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.535 ' HG2' ' CG ' ' A' ' 61' ' ' ASP . 25.4 ptm -102.57 139.69 37.83 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.246 -0.65 . . . . 2.74 109.246 176.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -106.38 102.87 12.24 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.341 0.591 . . . . 0.54 109.599 -177.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.79 133.56 42.93 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.594 -0.73 . . . . 0.71 110.238 -175.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 26.3 tp -76.0 121.33 22.57 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.114 -0.494 . . . . 1.18 109.859 -178.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.3 t -89.12 -63.14 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.357 0.599 . . . . 1.01 110.044 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.4 p -144.91 144.24 30.98 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.348 -0.842 . . . . 0.42 109.646 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.634 HG23 ' HB3' ' A' ' 56' ' ' PHE . 9.4 p -141.14 129.01 22.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 109.77 -0.456 . . . . 0.32 109.77 178.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -120.66 127.36 26.3 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 116.094 -0.503 . . . . 0.29 110.128 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.671 ' HA ' HG12 ' A' ' 54' ' ' VAL . 60.8 Cg_exo -52.5 122.15 10.31 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.596 2.197 . . . . 0.81 111.539 177.316 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.504 ' HG2' ' HB3' ' A' ' 53' ' ' ARG . 0.6 OUTLIER -103.74 176.58 5.1 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.378 -0.601 . . . . 1.08 109.378 -178.092 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.485 ' O ' ' HB2' ' A' ' 76' ' ' GLN . 12.2 m -133.81 70.58 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.151 0 CA-C-N 115.453 -0.794 . . . . 1.64 109.132 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.485 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 88.1 mm-40 71.34 -174.61 0.17 Allowed 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 114.652 -1.158 . . . . 2.57 109.26 -171.467 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.9 m -66.52 96.75 0.39 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.314 0.578 . . . . 3.72 111.262 -174.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -129.48 93.24 3.5 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.192 -0.913 . . . . 3.65 109.619 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -95.05 153.91 20.98 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.686 -0.769 . . . . 5.36 112.72 -175.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.455 ' O ' ' HD3' ' A' ' 82' ' ' PRO . . . 63.57 -163.34 0.27 Allowed 'General case' 0 C--O 1.234 0.237 0 C-N-CA 123.096 0.558 . . . . 6.59 111.215 176.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -96.29 108.35 41.16 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.364 -0.38 . . . . 10.72 110.732 175.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.455 ' HD3' ' O ' ' A' ' 80' ' ' ALA . 27.6 Cg_exo . . . . . 0 C--O 1.248 1.009 0 C-N-CA 122.799 2.333 . . . . 11.77 111.385 174.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.65 0 N-CA-C 111.865 -0.494 . . . . 1.67 111.865 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -67.16 138.58 47.7 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.737 2.291 . . . . 0.95 112.646 -177.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.477 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 35.9 tt0 -91.8 132.33 36.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.812 -0.631 . . . . 1.13 110.324 -179.193 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.476 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 79.8 m-70 -128.33 163.37 24.95 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.687 -0.486 . . . . 0.55 109.687 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.61 ' HD2' ' HB3' ' A' ' 57' ' ' SER . 18.8 mmm180 -95.77 147.39 23.68 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.519 -0.178 . . . . 2.51 110.519 179.111 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.421 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . . . -154.72 147.12 23.97 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.328 0.585 . . . . 0.41 111.446 176.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.0 m -119.91 158.14 21.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.507 -0.769 . . . . 0.24 110.287 173.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.685 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 172.35 -168.36 41.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.409 -0.9 . . . . 0.28 112.712 178.315 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 53' ' ' ARG . 27.1 ttp180 -112.32 134.73 53.69 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.69 -0.485 . . . . 3.19 109.69 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.628 HD11 ' CG2' ' A' ' 54' ' ' VAL . 36.3 mm -66.88 132.41 32.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 N-CA-C 109.948 -0.39 . . . . 0.23 109.948 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -96.9 -48.69 5.33 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.289 -0.634 . . . . 1.13 109.289 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.0 m -159.98 146.49 15.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.759 -0.655 . . . . 0.75 109.984 174.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.732 HG23 HD22 ' A' ' 18' ' ' LEU . 22.9 mt -102.99 134.61 43.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.443 -0.344 . . . . 0.77 110.147 175.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -111.96 -175.16 19.81 Favored Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 111.535 -0.626 . . . . 1.06 111.535 175.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -83.93 -16.96 42.3 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.959 0.409 . . . . 2.51 110.705 -177.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -146.82 -6.73 0.5 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.95 -0.568 . . . . 3.93 111.938 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 p -155.33 140.05 17.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.809 0.338 . . . . 0.94 110.63 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.732 HD22 HG23 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -123.04 130.4 52.75 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.898 -0.592 . . . . 1.03 109.939 -177.677 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 58.1 mt -82.48 123.08 38.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 109.036 -0.727 . . . . 0.56 109.036 174.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.419 ' HB ' ' CE1' ' A' ' 37' ' ' PHE . 78.9 mt -128.35 132.46 68.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.944 0.402 . . . . 0.21 110.853 -177.13 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.01 89.52 7.62 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 109.311 -0.626 . . . . 0.22 109.311 172.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.685 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 26.4 p80 -85.68 156.01 20.84 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.424 -0.807 . . . . 0.27 109.848 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -70.99 -158.95 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.3 -0.259 . . . . 3.05 110.3 176.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.405 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -57.72 -47.29 82.83 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.555 0.576 . . . . 1.5 112.555 -172.185 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.487 HG22 ' H ' ' A' ' 28' ' ' ALA . 16.3 mt 68.72 92.61 0.06 OUTLIER Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 120.969 0.414 . . . . 0.63 110.981 -174.196 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -65.48 -35.35 39.34 Favored 'Trans proline' 0 CA--C 1.527 0.15 0 C-N-CA 122.614 2.209 . . . . 0.97 112.47 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.476 ' HB2' ' HB3' ' A' ' 4' ' ' HIS . 4.9 m -66.99 -25.45 66.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.478 -0.328 . . . . 1.1 111.663 -176.339 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.487 ' H ' HG22 ' A' ' 25' ' ' ILE . . . -107.34 -2.51 20.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.871 0.367 . . . . 0.89 110.707 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 55.16 39.87 31.59 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.517 -0.765 . . . . 2.21 111.387 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.404 ' CH2' HD21 ' A' ' 60' ' ' LEU . 39.7 m0 -94.97 173.8 7.41 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.873 -0.603 . . . . 1.02 110.202 177.464 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.08 39.31 2.04 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.799 -0.715 . . . . 1.67 112.156 -177.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.405 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 70.04 123.34 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.42 0.688 . . . . 0.57 111.634 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 21.9 ptt? -172.09 154.35 3.39 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.151 -0.477 . . . . 0.84 110.751 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.28 106.15 5.78 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 115.909 -0.587 . . . . 0.75 110.998 178.304 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.4 mmm -118.44 156.79 28.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.363 -0.38 . . . . 1.6 110.924 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -97.94 125.12 42.7 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.536 -0.757 . . . . 1.0 110.017 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.839 ' HB3' ' HG ' ' A' ' 68' ' ' LEU . 74.4 m-85 -104.84 130.02 53.05 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.721 -0.672 . . . . 0.37 110.531 -178.576 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.83 139.49 41.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.244 -0.435 . . . . 0.34 110.335 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.35 144.66 28.31 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.418 -0.356 . . . . 0.6 110.977 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -61.9 149.45 90.15 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.475 2.117 . . . . 1.1 110.981 172.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -57.27 -20.33 38.63 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.072 2.515 . . . . 2.05 113.175 -176.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.75 -22.93 61.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.482 -0.326 . . . . 1.33 111.344 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.41 171.48 32.05 Favored Glycine 0 N--CA 1.442 -0.963 0 C-N-CA 120.623 -0.798 . . . . 0.93 112.259 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.452 HD21 HD21 ' A' ' 18' ' ' LEU . 2.5 mm? -91.8 152.2 42.91 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-O 120.725 0.297 . . . . 0.97 110.779 -176.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 6.6 Cg_exo -74.5 -165.96 0.3 Allowed 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 123.04 2.493 . . . . 0.69 111.641 172.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -116.7 160.78 20.24 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.124 -0.489 . . . . 2.12 110.463 179.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.61 13.1 65.74 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.778 -0.725 . . . . 0.63 111.807 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.508 ' O ' HD11 ' A' ' 13' ' ' ILE . 0.9 OUTLIER -136.52 45.13 2.34 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.363 0.601 . . . . 1.06 110.55 -178.729 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.605 ' HG3' ' OD2' ' A' ' 52' ' ' ASP . 4.5 pttp -96.11 -178.32 4.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.392 -0.822 . . . . 3.0 110.741 -174.352 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.03 117.2 1.99 Allowed 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.302 -0.408 . . . . 0.37 111.86 -178.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.69 -20.63 29.26 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.883 -0.599 . . . . 0.38 112.712 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.605 ' OD2' ' HG3' ' A' ' 49' ' ' LYS . 8.8 m-20 -79.93 159.9 26.17 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.461 0.648 . . . . 0.53 111.437 -176.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.412 ' HD3' ' HA ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -110.05 121.25 44.83 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.093 -0.958 . . . . 3.26 109.198 177.499 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.628 ' CG2' HD11 ' A' ' 10' ' ' ILE . 12.5 m -130.26 150.44 34.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.281 0.563 . . . . 0.3 112.058 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.49 118.93 38.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.282 -0.872 . . . . 0.16 108.803 175.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.704 ' HB3' HG23 ' A' ' 71' ' ' VAL . 27.1 p90 -136.09 167.49 21.16 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.258 0.836 . . . . 0.36 113.258 -168.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.61 ' HB3' ' HD2' ' A' ' 5' ' ' ARG . 73.0 p -121.4 142.14 50.29 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 114.925 -1.034 . . . . 1.08 109.228 170.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -144.43 160.33 41.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.395 -0.366 . . . . 0.41 110.029 -177.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.477 ' HA ' ' HA ' ' A' ' 3' ' ' GLU . 7.6 mtm180 -104.48 162.16 13.48 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.468 -0.493 . . . . 3.07 109.84 176.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.438 ' HA ' ' O ' ' A' ' 65' ' ' MET . 13.3 mt -109.85 116.36 31.51 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.819 -0.628 . . . . 1.04 110.267 170.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.584 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 28.8 m-20 -82.86 168.01 25.85 Favored Pre-proline 0 C--N 1.318 -0.784 0 N-CA-C 108.493 -0.928 . . . . 1.87 108.493 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.49 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 52.9 Cg_exo -55.08 -23.39 35.48 Favored 'Trans proline' 0 CA--C 1.535 0.535 0 C-N-CA 122.737 2.291 . . . . 1.62 114.53 -168.041 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -88.59 -9.85 50.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.997 0.427 . . . . 2.43 111.168 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.28 28.49 9.12 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.482 -1.047 . . . . 1.08 110.482 -172.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.584 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 80.9 mtp -88.91 146.46 24.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.919 -0.64 . . . . 2.74 110.123 -177.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.448 ' O ' ' HA ' ' A' ' 37' ' ' PHE . . . -108.94 121.16 44.54 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.261 -0.427 . . . . 0.54 110.654 -176.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.8 t -120.21 126.05 49.67 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 110.005 -0.369 . . . . 0.71 110.005 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.839 ' HG ' ' HB3' ' A' ' 37' ' ' PHE . 61.6 mt -72.11 141.73 49.17 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.897 0.38 . . . . 1.18 110.523 -177.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.9 t -111.72 -54.75 4.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-N 115.889 -0.596 . . . . 1.01 109.708 177.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.0 p -146.29 143.38 29.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.593 -0.731 . . . . 0.42 109.819 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.704 HG23 ' HB3' ' A' ' 56' ' ' PHE . 10.4 p -142.04 132.95 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.338 0.589 . . . . 0.32 111.406 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.86 132.7 24.25 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.822 -0.627 . . . . 0.29 110.245 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.602 ' HA ' HG12 ' A' ' 54' ' ' VAL . 48.5 Cg_exo -58.72 127.67 25.33 Favored 'Trans proline' 0 CA--C 1.528 0.202 0 C-N-CA 122.954 2.436 . . . . 0.81 112.279 178.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.502 ' HG2' ' C ' ' A' ' 54' ' ' VAL . 1.1 pt20 -118.77 175.2 5.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.797 -0.638 . . . . 1.08 109.934 -178.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.435 ' O ' ' HB2' ' A' ' 76' ' ' GLN . 11.6 m -135.93 74.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-N 115.343 -0.844 . . . . 1.64 109.015 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.435 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 87.3 mm-40 69.08 163.73 0.24 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 114.852 -1.067 . . . . 2.57 108.535 -166.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 32.9 m -61.05 99.18 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.667 0.746 . . . . 3.72 110.814 -178.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.56 10.01 34.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.796 -1.093 . . . . 3.65 110.58 -177.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 84.31 -74.23 2.54 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 115.726 -0.67 . . . . 5.36 111.642 -176.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 56.02 67.08 1.05 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.554 0.693 . . . . 6.59 110.802 -178.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.72 159.4 31.1 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.29 -0.868 . . . . 10.72 109.347 -179.062 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo . . . . . 0 C--O 1.251 1.161 0 C-N-CA 122.829 2.353 . . . . 11.77 112.254 176.134 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 60' ' ' LEU . . . . . . . . 0 N--CA 1.482 1.737 0 N-CA-C 111.538 -0.625 . . . . 1.67 111.538 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.28 139.83 92.03 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.982 2.454 . . . . 0.95 112.403 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -86.74 130.71 34.37 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.091 -0.504 . . . . 1.13 110.441 -177.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.437 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 49.1 m-70 -128.15 150.69 49.88 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.226 -1.028 . . . . 0.55 108.226 177.343 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.522 ' HG2' ' HB3' ' A' ' 57' ' ' SER . 39.9 mtp180 -97.25 155.45 16.86 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.344 -0.543 . . . . 2.51 111.688 178.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.444 ' HB3' ' CE1' ' A' ' 56' ' ' PHE . . . -159.75 159.49 32.84 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.323 -0.853 . . . . 0.41 110.662 176.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.559 ' HB ' HE22 ' A' ' 74' ' ' GLN . 29.9 m -123.42 146.86 28.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.626 -0.716 . . . . 0.24 109.375 172.244 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.687 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -169.22 178.22 42.51 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.045 -1.074 . . . . 0.28 112.868 -179.18 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -112.16 135.8 52.36 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.856 -0.424 . . . . 3.19 109.856 -178.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.463 HD11 HG21 ' A' ' 54' ' ' VAL . 29.0 mm -71.93 135.3 28.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 116.227 -0.442 . . . . 0.23 110.818 -177.216 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -95.71 -46.0 6.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.954 -0.567 . . . . 1.13 109.824 174.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.0 m -159.39 159.25 33.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.58 -0.736 . . . . 0.75 110.128 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.892 HD11 ' HA ' ' A' ' 49' ' ' LYS . 54.1 mt -115.05 143.8 24.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.14 0.495 . . . . 0.77 111.374 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.445 ' H ' ' HB3' ' A' ' 18' ' ' LEU . . . -133.34 176.99 19.32 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 110.498 -1.041 . . . . 1.06 110.498 173.513 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -65.89 -49.74 66.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.192 0.496 . . . . 2.51 111.341 -178.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.46 4.05 5.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.333 -0.394 . . . . 3.93 111.841 -174.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.3 p -155.6 143.48 19.81 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.075 0.464 . . . . 0.94 110.51 172.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.674 HD21 ' HG ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -150.05 155.04 39.18 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.778 -0.647 . . . . 1.03 110.472 -178.156 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.3 mt -97.15 128.52 48.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.304 -0.407 . . . . 0.56 110.702 -173.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.401 ' HB ' ' CE1' ' A' ' 37' ' ' PHE . 73.9 mt -129.55 127.97 65.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.143 -0.48 . . . . 0.21 110.853 -178.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.585 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -86.7 91.07 8.49 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.806 -0.813 . . . . 0.22 108.806 173.038 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.687 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 24.9 p80 -84.83 154.02 22.58 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.519 -0.764 . . . . 0.27 110.875 -176.431 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -66.15 -166.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.56 -0.745 . . . . 3.05 110.985 175.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.483 ' O ' ' HB2' ' A' ' 30' ' ' TRP . . . -56.33 -46.73 79.77 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.883 -0.598 . . . . 1.5 112.174 -176.186 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.467 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 27.6 mt 75.18 92.44 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.176 -0.465 . . . . 0.63 110.866 -177.33 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.77 -9.18 22.28 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.499 2.133 . . . . 0.97 112.19 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.437 ' HB3' ' HB3' ' A' ' 4' ' ' HIS . 49.9 m -80.08 -19.37 47.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.967 -0.56 . . . . 1.1 110.865 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.97 -9.53 7.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.89 111.44 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.1 mp0 64.76 34.09 9.79 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.231 -0.44 . . . . 2.21 111.15 -178.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.483 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 53.2 m0 -84.48 173.92 10.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.069 -0.514 . . . . 1.02 110.202 177.524 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.81 36.93 3.07 Favored Glycine 0 C--N 1.323 -0.193 0 C-N-CA 120.622 -0.799 . . . . 1.67 112.99 -176.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.472 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 69.02 128.8 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.263 0.625 . . . . 0.57 111.794 178.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 19.2 ptt? -171.73 146.47 2.12 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.915 -0.584 . . . . 0.84 111.045 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.585 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 21.0 m -75.05 108.66 7.93 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.388 -0.824 . . . . 0.75 110.277 178.358 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.2 mmm -127.03 158.23 37.49 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.157 -0.474 . . . . 1.6 111.56 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -90.71 136.82 32.82 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.345 -0.843 . . . . 1.0 109.872 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.401 ' CE1' ' HB ' ' A' ' 20' ' ' ILE . 62.6 m-85 -115.32 138.83 50.55 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.195 -0.457 . . . . 0.37 109.84 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.82 132.23 42.75 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.82 -0.627 . . . . 0.34 110.219 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.06 155.86 37.74 Favored Pre-proline 0 C--N 1.316 -0.864 0 CA-C-N 116.2 -0.454 . . . . 0.6 110.35 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.55 159.53 53.14 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.539 2.16 . . . . 1.1 111.047 173.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -57.66 -15.51 20.98 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.034 2.489 . . . . 2.05 112.939 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.72 -36.35 78.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.474 . . . . 1.33 110.852 177.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.38 166.87 33.91 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.949 -0.644 . . . . 0.93 112.852 177.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.674 ' HG ' HD21 ' A' ' 18' ' ' LEU . 2.5 mm? -95.71 149.98 36.79 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-O 120.642 0.258 . . . . 0.97 111.029 -177.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -78.52 -164.14 0.26 Allowed 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.427 2.085 . . . . 0.69 111.741 172.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -103.64 177.51 4.82 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.577 -0.527 . . . . 2.12 109.577 173.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.11 10.34 62.62 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.546 -0.835 . . . . 0.63 111.511 -177.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.508 ' HB3' HG11 ' A' ' 54' ' ' VAL . 1.7 pp -143.7 47.84 1.44 Allowed 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 122.665 0.386 . . . . 1.06 111.417 -176.228 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.892 ' HA ' HD11 ' A' ' 13' ' ' ILE . 9.3 ptpp? -94.21 167.02 11.82 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.541 -0.464 . . . . 3.0 110.237 -172.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.93 106.54 0.1 Allowed 'General case' 0 C--O 1.234 0.252 0 O-C-N 123.447 0.467 . . . . 0.37 111.221 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.84 -21.93 7.37 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.964 -0.636 . . . . 0.38 112.494 -177.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.505 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 7.0 m-20 -79.86 153.78 28.83 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 120.936 0.398 . . . . 0.53 110.577 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.454 HH11 ' HD2' ' A' ' 53' ' ' ARG . 6.2 ttt180 -111.84 119.37 38.35 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.243 -1.021 . . . . 3.26 108.243 172.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.508 HG11 ' HB3' ' A' ' 48' ' ' LEU . 5.0 m -120.59 155.02 23.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 121.097 0.475 . . . . 0.3 111.679 -172.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.16 130.14 55.49 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.63 -0.878 . . . . 0.16 108.63 175.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.664 ' HB3' HG23 ' A' ' 71' ' ' VAL . 49.6 p90 -148.6 170.23 18.56 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.018 -0.673 . . . . 0.36 112.758 -168.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.522 ' HB3' ' HG2' ' A' ' 5' ' ' ARG . 80.5 p -128.78 137.39 51.51 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 114.834 -1.075 . . . . 1.08 109.045 171.088 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -134.89 154.21 51.76 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.14 -0.482 . . . . 0.41 110.228 -176.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.507 ' HG3' HG21 ' A' ' 69' ' ' VAL . 47.3 mtm-85 -103.89 124.64 49.33 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 120.734 0.302 . . . . 3.07 110.197 178.12 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.417 HD23 ' O ' ' A' ' 65' ' ' MET . 13.9 mt -89.46 110.88 21.66 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-N 115.907 -0.588 . . . . 1.04 109.968 176.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.402 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 52.8 m-20 -79.07 161.4 68.4 Favored Pre-proline 0 C--N 1.315 -0.924 0 N-CA-C 108.939 -0.763 . . . . 1.87 108.939 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -67.02 1.3 2.94 Favored 'Trans proline' 0 CA--C 1.528 0.192 0 C-N-CA 123.223 2.616 . . . . 1.62 114.317 -166.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -104.41 -8.25 19.3 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.042 0.449 . . . . 2.43 110.656 178.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.66 33.81 6.27 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.593 -0.813 . . . . 1.08 111.209 -176.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.417 ' O ' HD23 ' A' ' 60' ' ' LEU . 26.1 mmt -97.48 145.78 25.87 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.23 -0.656 . . . . 2.74 109.23 178.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.18 97.4 6.04 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.197 -0.668 . . . . 0.54 109.197 -174.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.7 m -101.45 115.66 31.01 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.519 -0.764 . . . . 0.71 110.699 -175.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.7 tp -72.03 122.07 20.27 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.199 -0.909 . . . . 1.18 110.862 -174.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.507 HG21 ' HG3' ' A' ' 59' ' ' ARG . 25.0 t -94.94 -56.65 5.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.849 -0.614 . . . . 1.01 110.226 -178.226 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.85 135.64 22.23 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.635 -0.711 . . . . 0.42 110.8 -176.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.664 HG23 ' HB3' ' A' ' 56' ' ' PHE . 7.5 p -138.1 135.77 44.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.018 0.437 . . . . 0.32 110.808 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -124.26 146.19 50.93 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.96 -0.564 . . . . 0.29 110.374 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.412 ' HA ' HG12 ' A' ' 54' ' ' VAL . 31.8 Cg_endo -66.99 114.73 3.28 Favored 'Trans proline' 0 N--CA 1.46 -0.441 0 C-N-CA 122.212 1.941 . . . . 0.81 112.62 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.559 HE22 ' HB ' ' A' ' 7' ' ' VAL . 10.5 pt20 -109.44 179.05 4.25 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.884 -0.784 . . . . 1.08 108.884 174.159 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 p -137.49 96.09 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 N-CA-C 108.801 -0.815 . . . . 1.64 108.801 -176.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 67.75 -90.2 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 114.024 -1.443 . . . . 2.57 111.643 -173.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.3 m -134.39 93.8 3.12 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 115.822 -0.626 . . . . 3.72 110.401 -178.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.83 86.37 2.81 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.466 -0.788 . . . . 3.65 110.32 175.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -83.97 74.15 2.55 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.843 -0.694 . . . . 5.36 112.159 -178.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -146.41 146.42 30.61 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.169 -0.308 . . . . 6.59 110.169 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.474 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 13.6 mmmm -109.0 137.89 20.23 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.492 -0.322 . . . . 10.72 110.461 177.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 81' ' ' LYS . 3.8 Cg_endo . . . . . 0 C--O 1.25 1.107 0 C-N-CA 123.043 2.495 . . . . 11.77 111.305 175.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.454 ' HA3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.623 0 CA-C-O 120.169 -0.24 . . . . 1.67 112.609 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.454 ' HD3' ' HA3' ' A' ' 1' ' ' GLY . 52.3 Cg_exo -56.68 137.7 82.1 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 123.511 2.807 . . . . 0.95 113.38 -175.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.418 ' CB ' ' HG2' ' A' ' 59' ' ' ARG . 34.6 tt0 -100.96 122.1 42.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.296 -0.866 . . . . 1.13 110.04 -179.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -118.3 143.44 46.6 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.249 -0.648 . . . . 0.55 109.249 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.717 ' HG2' ' HB3' ' A' ' 57' ' ' SER . 95.9 mtt180 -95.31 157.2 16.0 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.776 0.322 . . . . 2.51 110.714 177.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -159.71 152.63 21.71 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.842 -0.617 . . . . 0.41 110.89 176.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.465 HG12 ' HA ' ' A' ' 55' ' ' ALA . 27.6 m -121.97 146.02 27.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 116.036 -0.529 . . . . 0.24 109.962 173.039 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.503 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -177.39 -178.15 46.81 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.474 -0.869 . . . . 0.28 112.226 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.507 ' HA ' ' HA ' ' A' ' 53' ' ' ARG . 45.0 ttp180 -106.99 139.51 41.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.039 0.447 . . . . 3.19 110.211 -177.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.547 HD11 ' CG2' ' A' ' 54' ' ' VAL . 29.3 mm -71.87 133.32 32.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.559 -0.746 . . . . 0.23 110.867 -178.103 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.532 ' HB2' ' HB ' ' A' ' 19' ' ' ILE . 13.1 mm100 -89.93 -42.68 11.05 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.798 -0.637 . . . . 1.13 109.859 176.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.0 t -173.07 160.06 4.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.689 -0.687 . . . . 0.75 109.786 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.632 HD11 ' HA ' ' A' ' 49' ' ' LYS . 87.8 mt -109.11 133.38 54.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.168 -0.469 . . . . 0.77 110.314 178.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.98 -142.2 12.8 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.624 -0.716 . . . . 1.06 111.872 176.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -113.87 -32.79 5.98 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.309 -0.626 . . . . 2.51 109.309 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -137.53 3.31 2.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.526 -0.761 . . . . 3.93 111.199 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.8 p -157.2 160.93 39.2 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.317 -0.623 . . . . 0.94 109.317 172.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.479 ' HB3' ' HA ' ' A' ' 13' ' ' ILE . 0.7 OUTLIER -149.84 151.37 33.41 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.019 0.437 . . . . 1.03 111.522 179.683 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.571 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 18.6 mt -92.8 129.83 42.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.54 -0.755 . . . . 0.56 110.802 -172.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.9 mt -130.19 129.78 65.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.085 0.469 . . . . 0.21 111.346 -178.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.27 93.74 9.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.901 -0.59 . . . . 0.22 109.884 173.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.503 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 24.3 p80 -91.81 155.38 18.27 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.79 -0.641 . . . . 0.27 110.692 -175.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -69.74 -168.95 0.21 Allowed 'General case' 0 C--O 1.241 0.641 0 CA-C-N 116.022 -0.536 . . . . 3.05 111.356 177.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.446 ' HA ' ' H ' ' A' ' 32' ' ' ALA . . . -76.05 73.0 2.92 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.968 -0.56 . . . . 1.5 111.58 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.618 HG22 ' H ' ' A' ' 28' ' ' ALA . 42.5 mt -47.95 102.87 0.33 Allowed Pre-proline 0 C--N 1.32 -0.712 0 O-C-N 124.234 0.959 . . . . 0.63 112.287 176.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -73.22 -18.2 23.74 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.816 2.344 . . . . 0.97 111.374 176.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.3 m -69.91 -41.47 74.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.296 -0.866 . . . . 1.1 111.364 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.618 ' H ' HG22 ' A' ' 25' ' ' ILE . . . -110.95 2.31 18.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.492 -0.322 . . . . 0.89 111.265 -177.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 66.31 30.03 9.2 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.809 -0.632 . . . . 2.21 110.657 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.479 ' HB2' ' HB ' ' A' ' 25' ' ' ILE . 44.6 m0 -93.08 110.06 21.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.342 -0.39 . . . . 1.02 110.258 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.66 65.67 4.03 Favored Glycine 0 C--N 1.32 -0.316 0 CA-C-N 115.937 -0.574 . . . . 1.67 113.221 -172.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.446 ' H ' ' HA ' ' A' ' 24' ' ' ALA . . . 55.98 93.2 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.316 0.646 . . . . 0.57 112.502 175.257 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 22.6 ptt? -153.0 149.61 28.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.061 0.458 . . . . 0.84 111.059 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.456 HG23 ' HG3' ' A' ' 11' ' ' GLN . 23.4 m -74.66 110.33 8.86 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.019 -0.991 . . . . 0.75 110.032 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 44.0 tpp -128.6 148.2 50.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.08 -0.509 . . . . 1.6 110.706 -178.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.571 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 35.0 tt0 -94.85 133.37 38.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.799 0.333 . . . . 1.0 110.16 178.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -112.5 142.32 45.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.236 -0.438 . . . . 0.37 110.56 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.439 ' HB3' HG23 ' A' ' 67' ' ' THR . . . -80.85 141.96 34.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.427 -0.351 . . . . 0.34 110.761 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.83 141.14 67.91 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.276 -0.42 . . . . 0.6 111.503 -178.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.31 158.88 52.79 Favored 'Trans proline' 0 C--O 1.236 0.4 0 C-N-CA 122.707 2.271 . . . . 1.1 111.533 175.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -63.14 -13.83 37.93 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.778 2.319 . . . . 2.05 112.984 -177.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.58 -14.13 52.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.356 -0.383 . . . . 1.33 111.584 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.44 174.52 35.61 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.913 -0.66 . . . . 0.93 112.186 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -93.9 139.33 22.63 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.905 0.383 . . . . 0.97 111.268 -178.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.637 ' HD2' HD21 ' A' ' 48' ' ' LEU . 57.0 Cg_endo -81.94 -167.18 0.46 Allowed 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 123.106 2.537 . . . . 0.69 111.878 171.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -110.31 158.88 17.94 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.692 -0.686 . . . . 2.12 110.156 176.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.83 11.72 45.83 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.264 -0.493 . . . . 0.63 112.557 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.647 HD23 HG11 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -129.3 46.66 2.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.84 0.352 . . . . 1.06 111.542 -177.879 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.632 ' HA ' HD11 ' A' ' 13' ' ' ILE . 88.0 mttt -95.19 171.24 8.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.104 0.478 . . . . 3.0 111.984 -174.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.02 107.66 0.15 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.994 -1.003 . . . . 0.37 111.177 177.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.68 -17.06 18.52 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.76 -0.733 . . . . 0.38 112.537 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.485 ' O ' HG12 ' A' ' 10' ' ' ILE . 11.6 m-20 -85.65 145.36 27.35 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.058 -0.349 . . . . 0.53 110.058 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.647 ' HD3' ' HA ' ' A' ' 76' ' ' GLN . 13.8 ttt180 -108.67 117.69 34.84 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 109.532 -0.544 . . . . 3.26 109.532 175.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.792 HG12 ' HA ' ' A' ' 73' ' ' PRO . 3.6 m -116.25 160.68 15.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.839 -0.618 . . . . 0.3 111.327 -174.058 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.465 ' HA ' HG12 ' A' ' 7' ' ' VAL . . . -110.24 118.36 36.14 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.853 -0.795 . . . . 0.16 108.853 175.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.753 ' HB3' HG23 ' A' ' 71' ' ' VAL . 38.2 p90 -136.52 167.23 21.75 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.731 0.641 . . . . 0.36 112.731 -169.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.717 ' HB3' ' HG2' ' A' ' 5' ' ' ARG . 28.0 p -130.11 139.25 50.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.197 -0.91 . . . . 1.08 109.635 173.281 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -138.49 151.74 47.65 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.262 -0.426 . . . . 0.41 110.624 -176.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.617 ' HG3' HG21 ' A' ' 69' ' ' VAL . 56.1 mtt180 -109.32 137.8 46.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.996 0.427 . . . . 3.07 110.895 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.566 HD22 ' HA ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -102.53 145.26 29.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.446 -0.797 . . . . 1.04 110.327 -179.71 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -97.99 169.13 8.88 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 108.806 -0.812 . . . . 1.87 108.806 173.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.7 -12.94 33.87 Favored 'Trans proline' 0 C--N 1.334 -0.208 0 C-N-CA 123.069 2.513 . . . . 1.62 112.993 -178.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -85.55 -26.82 25.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.82 0.343 . . . . 2.43 110.362 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.34 26.48 5.94 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 1.08 112.106 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.8 mmt -95.89 153.18 17.89 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.702 -0.481 . . . . 2.74 109.702 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.566 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -120.77 119.73 33.58 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.943 0.401 . . . . 0.54 110.738 -171.205 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.439 HG23 ' HB3' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -121.01 125.37 47.17 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.997 -0.547 . . . . 0.71 110.903 -178.454 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.419 HD11 ' HB2' ' A' ' 56' ' ' PHE . 58.9 tp -75.47 134.39 40.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.221 -0.445 . . . . 1.18 110.648 -176.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.617 HG21 ' HG3' ' A' ' 59' ' ' ARG . 25.0 t -105.01 -54.78 6.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.992 -0.549 . . . . 1.01 110.478 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -147.12 142.17 27.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.703 -0.68 . . . . 0.42 110.844 -177.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.753 HG23 ' HB3' ' A' ' 56' ' ' PHE . 14.8 p -138.32 136.86 44.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.126 0.489 . . . . 0.32 110.201 178.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -120.01 124.77 27.67 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 116.123 -0.49 . . . . 0.29 110.342 177.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.792 ' HA ' HG12 ' A' ' 54' ' ' VAL . 33.5 Cg_exo -59.37 103.2 0.17 Allowed 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.779 2.319 . . . . 0.81 111.781 176.2 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.419 HE22 ' HB ' ' A' ' 7' ' ' VAL . 15.5 pt20 -103.91 178.75 4.47 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.353 -0.84 . . . . 1.08 109.742 -178.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.6 m -124.1 85.97 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-O 121.482 0.658 . . . . 1.64 110.519 -171.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.647 ' HA ' ' HD3' ' A' ' 53' ' ' ARG . 72.1 mt-30 50.0 -108.89 0.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.462 -1.244 . . . . 2.57 111.967 -178.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -66.7 -46.61 74.99 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.764 -0.653 . . . . 3.72 110.964 -179.61 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 62.4 6.68 2.02 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.973 -1.012 . . . . 3.65 112.802 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -76.73 -69.31 1.41 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.648 -0.786 . . . . 5.36 111.5 177.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -114.72 -47.18 2.9 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.315 0.578 . . . . 6.59 109.625 174.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.532 ' O ' HG23 ' A' ' 77' ' ' THR . 37.1 tttm -95.05 146.38 31.22 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.263 -0.88 . . . . 10.72 110.331 178.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo . . . . . 0 C--O 1.247 0.947 0 C-N-CA 122.515 2.143 . . . . 11.77 109.944 164.722 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.402 ' HA2' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.479 1.552 0 N-CA-C 111.954 -0.458 . . . . 1.67 111.954 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.448 ' O ' ' HA ' ' A' ' 59' ' ' ARG . 28.1 Cg_exo -64.9 143.12 78.43 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.901 2.401 . . . . 0.95 112.463 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.469 ' HA ' ' O ' ' A' ' 58' ' ' PHE . 22.9 tt0 -90.13 130.42 36.29 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.671 -0.695 . . . . 1.13 110.417 179.066 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.454 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 79.9 m-70 -119.72 142.62 48.35 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.471 -0.566 . . . . 0.55 109.471 177.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.532 ' HD3' ' HB3' ' A' ' 57' ' ' SER . 13.8 mmt180 -78.68 138.89 38.5 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.292 -0.262 . . . . 2.51 110.292 176.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.65 133.9 17.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.203 0.525 . . . . 0.41 111.408 -178.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.493 ' HB ' HE22 ' A' ' 74' ' ' GLN . 31.2 m -122.41 152.46 26.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 109.599 -0.519 . . . . 0.24 109.599 175.063 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.633 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -178.29 -166.25 34.31 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 119.821 -1.18 . . . . 0.28 113.498 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -118.26 128.89 55.11 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.173 -0.677 . . . . 3.19 109.173 -176.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.631 HD11 HG21 ' A' ' 54' ' ' VAL . 41.7 mm -66.09 130.63 31.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.813 0.34 . . . . 0.23 110.53 -176.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.5 ' HG2' HG21 ' A' ' 34' ' ' THR . 3.5 tp-100 -92.34 -52.14 4.81 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.771 -0.65 . . . . 1.13 109.527 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.4 m -160.77 150.19 17.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.858 -0.61 . . . . 0.75 109.828 176.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.704 HD11 ' HA ' ' A' ' 49' ' ' LYS . 72.4 mt -98.51 142.39 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 0.77 110.879 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' A' ' 17' ' ' SER . . . -105.82 -139.07 9.49 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.844 -0.616 . . . . 1.06 112.365 178.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -104.08 -44.43 5.0 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.888 0.851 . . . . 2.51 108.956 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.42 12.68 1.19 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.293 -1.322 . . . . 3.93 109.527 -178.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.419 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 35.8 p -154.85 154.23 32.4 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.075 -1.084 . . . . 0.94 108.075 173.031 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.841 HD21 ' HG ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -151.86 152.86 33.15 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 120.98 0.419 . . . . 1.03 111.327 -177.59 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.633 HG22 HG22 ' A' ' 34' ' ' THR . 14.0 mt -93.59 131.27 41.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.356 -0.838 . . . . 0.56 110.077 -174.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 68.3 mt -131.42 128.97 61.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.011 0.434 . . . . 0.21 111.29 -177.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.625 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -77.69 90.67 4.0 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.969 -0.752 . . . . 0.22 108.969 169.655 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.633 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 24.4 p80 -87.67 157.59 19.05 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.02 -0.536 . . . . 0.27 110.863 -178.242 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -63.71 -169.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.473 -0.785 . . . . 3.05 111.433 175.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.608 ' HA ' ' H ' ' A' ' 32' ' ' ALA . . . -58.24 -49.74 76.04 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.882 -0.599 . . . . 1.5 111.815 -176.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.415 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 31.0 mt 73.67 87.27 0.09 OUTLIER Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.858 -0.61 . . . . 0.63 110.581 -177.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.7 -23.06 63.63 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.929 2.419 . . . . 0.97 112.502 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.454 ' HB3' ' HB3' ' A' ' 4' ' ' HIS . 8.0 t -76.85 -12.73 60.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.831 0.348 . . . . 1.1 110.885 -178.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.54 -9.2 8.49 Favored 'General case' 0 C--N 1.33 -0.283 0 C-N-CA 121.103 -0.239 . . . . 0.89 111.236 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 66.72 30.96 7.85 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.941 -0.572 . . . . 2.21 111.176 178.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.413 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 46.4 m0 -88.6 174.07 8.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.979 -0.555 . . . . 1.02 110.094 178.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.64 48.5 0.97 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.549 -0.834 . . . . 1.67 113.199 -174.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.608 ' H ' ' HA ' ' A' ' 24' ' ' ALA . . . 59.39 92.43 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.458 0.54 . . . . 0.57 112.458 174.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 20.9 ptt? -146.79 152.94 39.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.278 -0.419 . . . . 0.84 110.908 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.633 HG22 HG22 ' A' ' 19' ' ' ILE . 13.9 m -75.17 108.78 8.15 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.615 -0.72 . . . . 0.75 110.823 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.7 mmm -126.48 156.31 40.9 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.095 -0.502 . . . . 1.6 111.155 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.576 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 72.4 tt0 -97.41 141.54 30.36 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.41 -178.221 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -120.63 131.87 54.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.306 -0.406 . . . . 0.37 109.991 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.54 128.72 37.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.317 -0.401 . . . . 0.34 110.768 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.67 165.81 13.99 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.346 -0.388 . . . . 0.6 110.537 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 31.6 Cg_exo -60.17 152.46 65.8 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.195 1.93 . . . . 1.1 111.178 171.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 40' ' ' PRO . 51.5 Cg_exo -55.42 -15.57 11.94 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 123.131 2.554 . . . . 2.05 113.299 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.93 -39.15 73.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 1.33 111.262 174.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.31 174.23 20.49 Favored Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.785 -0.722 . . . . 0.93 112.059 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.841 ' HG ' HD21 ' A' ' 18' ' ' LEU . 3.7 mm? -92.0 156.38 42.35 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-O 120.765 0.317 . . . . 0.97 111.047 -178.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -74.69 -163.57 0.19 Allowed 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.794 2.329 . . . . 0.69 112.033 172.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.88 148.3 42.27 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.257 -0.883 . . . . 2.12 110.494 -178.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.76 18.04 12.28 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 111.579 -0.608 . . . . 0.63 111.579 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.682 ' HB3' HG11 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -134.31 55.52 1.89 Allowed 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.053 0.454 . . . . 1.06 111.208 -177.156 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.704 ' HA ' HD11 ' A' ' 13' ' ' ILE . 7.1 ptpp? -94.27 168.7 10.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.302 -0.408 . . . . 3.0 110.099 -174.314 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.4 106.8 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.414 0.446 . . . . 0.37 110.69 176.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.61 -16.0 12.63 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.928 -0.654 . . . . 0.38 112.877 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.582 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 17.4 m-20 -80.34 156.2 26.85 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 117.313 0.556 . . . . 0.53 111.026 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.933 ' HD3' ' HA ' ' A' ' 76' ' ' GLN . 31.3 ttt85 -110.17 120.43 42.43 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.75 -0.659 . . . . 3.26 109.414 174.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.682 HG11 ' HB3' ' A' ' 48' ' ' LEU . 13.2 m -125.63 156.82 35.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.823 -0.626 . . . . 0.3 111.073 -176.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.413 ' HA ' HG12 ' A' ' 7' ' ' VAL . . . -114.46 124.8 52.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.671 -0.695 . . . . 0.16 109.189 175.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.445 ' HA ' ' O ' ' A' ' 70' ' ' THR . 11.0 p90 -140.66 178.44 7.33 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.217 0.532 . . . . 0.36 111.759 -174.361 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.602 ' C ' HG22 ' A' ' 69' ' ' VAL . 1.3 p -134.67 -178.78 5.23 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 108.621 -0.881 . . . . 1.08 108.621 166.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.469 ' O ' ' HA ' ' A' ' 3' ' ' GLU . 33.4 p90 -170.46 158.56 6.51 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.957 -0.386 . . . . 0.41 109.957 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.448 ' HA ' ' O ' ' A' ' 2' ' ' PRO . 28.6 mtm-85 -110.87 134.15 52.78 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.889 -0.411 . . . . 3.07 109.889 178.165 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 60' ' ' LEU . 10.1 mt -93.03 113.07 25.23 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.959 -0.386 . . . . 1.04 109.959 174.225 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -83.01 164.24 47.26 Favored Pre-proline 0 C--N 1.315 -0.907 0 CA-C-N 115.919 -0.582 . . . . 1.87 109.496 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -71.07 0.93 5.86 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.899 2.399 . . . . 1.62 112.527 -172.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -101.12 -4.55 27.1 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.049 -0.523 . . . . 2.43 110.499 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.29 32.81 15.69 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 110.922 -0.871 . . . . 1.08 110.922 -177.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 24.6 mmt -95.6 141.89 28.56 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.788 -0.449 . . . . 2.74 109.788 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -110.94 97.01 6.5 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.49 -0.929 . . . . 0.54 108.49 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.8 m -105.86 112.53 25.63 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.514 -0.766 . . . . 0.71 110.806 -171.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.401 HD12 ' O ' ' A' ' 57' ' ' SER . 25.7 tp -65.71 139.94 58.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.391 -0.822 . . . . 1.18 110.109 -176.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.602 HG22 ' C ' ' A' ' 57' ' ' SER . 13.6 m -109.43 -59.07 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 CA-C-N 116.473 -0.331 . . . . 1.01 111.217 -178.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.598 ' H ' HG23 ' A' ' 69' ' ' VAL . 1.7 p -146.63 131.55 18.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.668 -0.242 . . . . 0.42 110.471 177.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.3 p -128.27 133.22 67.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 O-C-N 123.522 0.513 . . . . 0.32 109.748 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -131.48 134.21 25.32 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 116.405 -0.362 . . . . 0.29 110.598 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.574 ' HA ' HG12 ' A' ' 54' ' ' VAL . 54.1 Cg_exo -53.73 123.43 13.38 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.928 2.418 . . . . 0.81 111.816 176.375 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.64 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . 10.7 pt20 -123.24 177.56 5.52 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.232 -0.44 . . . . 1.08 110.244 -177.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.0 t -127.24 87.24 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 108.851 -0.796 . . . . 1.64 108.851 -174.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.933 ' HA ' ' HD3' ' A' ' 53' ' ' ARG . 86.0 mm-40 60.7 -98.93 0.09 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.223 -0.898 . . . . 2.57 111.582 -176.018 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 10.9 m -104.28 87.31 2.71 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-O 121.466 0.65 . . . . 3.72 110.198 177.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.64 ' HB3' ' HB2' ' A' ' 74' ' ' GLN . . . -105.95 1.85 26.97 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.579 -0.737 . . . . 3.65 110.915 177.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.07 138.34 34.62 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.851 -0.69 . . . . 5.36 112.054 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -108.99 134.94 50.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.028 0.442 . . . . 6.59 111.249 -178.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -88.9 157.23 49.0 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.754 -0.657 . . . . 10.72 109.747 177.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo . . . . . 0 C--O 1.25 1.111 0 C-N-CA 122.63 2.22 . . . . 11.77 111.829 176.434 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 N-CA-C 112.095 -0.402 . . . . 1.67 112.095 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.65 145.96 71.63 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.727 2.285 . . . . 0.95 112.583 -177.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -90.89 131.75 36.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.678 -0.692 . . . . 1.13 109.969 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.411 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 80.0 m-70 -127.91 150.73 49.75 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.326 -0.62 . . . . 0.55 109.326 -179.478 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.568 ' HG2' ' HB3' ' A' ' 57' ' ' SER . 78.2 mtt180 -104.99 151.72 23.59 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.958 -0.297 . . . . 2.51 110.736 176.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.482 ' CB ' HG12 ' A' ' 25' ' ' ILE . . . -156.56 152.23 27.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.713 -0.676 . . . . 0.41 110.007 177.602 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.765 ' HB ' HE22 ' A' ' 74' ' ' GLN . 30.1 m -122.12 158.58 25.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 120.97 0.414 . . . . 0.24 110.355 174.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 172.78 -146.38 9.06 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.116 -1.04 . . . . 0.28 112.53 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.445 ' HA ' ' HA ' ' A' ' 53' ' ' ARG . 11.4 ttm180 -129.6 137.85 50.93 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.695 -0.483 . . . . 3.19 109.695 -175.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.698 HD11 HG21 ' A' ' 54' ' ' VAL . 50.7 mm -69.01 117.72 12.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 109.744 -0.465 . . . . 0.23 109.744 177.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.502 ' HG2' HG21 ' A' ' 34' ' ' THR . 53.1 tp60 -83.75 -50.05 8.51 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.98 -0.554 . . . . 1.13 109.542 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.1 m -161.02 141.8 11.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.908 -0.587 . . . . 0.75 110.667 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.505 HG23 HD22 ' A' ' 18' ' ' LEU . 57.8 mt -90.77 131.39 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.334 -0.617 . . . . 0.77 109.334 171.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.91 -161.68 17.64 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.278 -0.487 . . . . 1.06 113.005 -176.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.815 ' HG3' ' HG3' ' A' ' 16' ' ' ARG . 9.3 pt-20 -69.09 -43.62 74.15 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 122.761 0.424 . . . . 2.51 112.05 -176.316 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.815 ' HG3' ' HG3' ' A' ' 15' ' ' GLU . 3.0 ppt_? -143.46 17.42 1.86 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.331 0.586 . . . . 3.93 110.269 -177.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.635 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 3.0 p -158.36 166.41 32.35 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 115.156 -0.929 . . . . 0.94 109.039 -175.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.556 HD21 ' HG ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -133.61 131.43 39.62 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 109.111 -0.7 . . . . 1.03 109.111 171.714 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.839 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 4.3 mp -78.27 124.56 36.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 108.526 -0.916 . . . . 0.56 108.526 177.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 69.2 mt -126.41 123.64 63.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.826 0.346 . . . . 0.21 111.276 -174.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.747 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -71.37 95.42 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.442 -0.577 . . . . 0.22 109.442 170.205 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.0 p80 -101.67 155.31 18.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.272 -0.422 . . . . 0.27 110.826 -176.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.613 ' HG3' ' O ' ' A' ' 7' ' ' VAL . 1.8 pp20? -70.08 -165.15 0.09 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.41 -0.814 . . . . 3.05 111.194 174.44 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.58 -15.58 62.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.915 0.709 . . . . 1.5 112.915 -171.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.482 HG12 ' CB ' ' A' ' 6' ' ' ALA . 42.5 mt 63.26 85.61 0.16 Allowed Pre-proline 0 C--N 1.322 -0.598 0 CA-C-O 121.074 0.464 . . . . 0.63 110.668 178.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -68.19 -9.07 24.67 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.433 2.089 . . . . 0.97 112.247 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.411 ' HB2' ' HB3' ' A' ' 4' ' ' HIS . 15.0 m -87.79 -20.21 26.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.132 -0.486 . . . . 1.1 111.331 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.92 -4.81 8.02 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.234 0.457 . . . . 0.89 112.234 -176.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 58.02 63.57 1.74 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.483 0.658 . . . . 2.21 110.475 -178.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.467 ' CZ2' HD11 ' A' ' 60' ' ' LEU . 18.7 m0 -116.08 176.41 5.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.094 -0.957 . . . . 1.02 110.416 -177.57 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.447 ' O ' ' HG2' ' A' ' 33' ' ' MET . . . -101.25 159.16 18.77 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.345 -0.931 . . . . 1.67 111.336 170.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.66 126.62 30.16 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.985 -0.376 . . . . 0.57 109.985 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.447 ' HG2' ' O ' ' A' ' 31' ' ' GLY . 4.5 ptt? -171.64 152.3 3.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.081 -0.509 . . . . 0.84 111.256 -174.342 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.747 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 22.6 m -82.02 107.79 15.0 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.307 -0.86 . . . . 0.75 109.915 177.59 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 41.6 ttm -131.54 147.5 52.54 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.211 -0.449 . . . . 1.6 111.126 -178.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.839 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 40.5 tt0 -76.75 138.73 40.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.33 -0.85 . . . . 1.0 111.564 -179.144 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -119.57 128.23 53.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.881 -0.6 . . . . 0.37 109.695 173.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.635 ' HA ' ' HB3' ' A' ' 17' ' ' SER . . . -76.75 144.96 38.9 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.904 -0.589 . . . . 0.34 110.596 -175.265 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.63 147.17 34.61 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-O 120.525 0.202 . . . . 0.6 110.956 -177.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 68' ' ' LEU . 50.0 Cg_endo -69.81 159.09 54.66 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.456 2.104 . . . . 1.1 111.006 173.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -57.19 -21.83 45.21 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.801 2.334 . . . . 2.05 112.502 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.91 -41.08 91.88 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.98 -0.554 . . . . 1.33 111.531 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.95 178.93 17.82 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.978 -0.63 . . . . 0.93 112.075 -178.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.556 ' HG ' HD21 ' A' ' 18' ' ' LEU . 2.4 mm? -103.07 148.55 35.79 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 120.502 0.192 . . . . 0.97 110.555 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.615 ' HD2' HD21 ' A' ' 48' ' ' LEU . 13.0 Cg_exo -70.63 -163.19 0.11 Allowed 'Trans proline' 0 CA--C 1.528 0.182 0 C-N-CA 123.242 2.628 . . . . 0.69 112.006 172.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -113.44 154.86 26.3 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.967 -0.56 . . . . 2.12 110.114 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.13 27.45 20.91 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.656 -0.783 . . . . 0.63 112.348 175.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.615 HD21 ' HD2' ' A' ' 45' ' ' PRO . 1.2 pp -139.32 45.68 1.95 Allowed 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 120.945 0.403 . . . . 1.06 111.527 -177.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -97.08 173.41 7.27 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.899 -0.32 . . . . 3.0 110.326 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.07 115.07 0.9 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.207 0.527 . . . . 0.37 111.767 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.81 -21.63 12.31 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 115.69 -0.686 . . . . 0.38 112.606 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -79.34 138.34 37.66 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 121.012 0.434 . . . . 0.53 110.53 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.445 ' HA ' ' HA ' ' A' ' 9' ' ' ARG . 34.6 mtt180 -92.46 124.24 36.36 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 108.569 -0.9 . . . . 3.26 108.569 171.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.698 HG21 HD11 ' A' ' 10' ' ' ILE . 15.6 m -126.36 151.22 32.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-O 121.132 0.491 . . . . 0.3 111.758 -176.069 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.464 ' HA ' HG12 ' A' ' 7' ' ' VAL . . . -109.45 122.53 47.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.169 -0.923 . . . . 0.16 108.684 173.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.68 ' HB3' HG23 ' A' ' 71' ' ' VAL . 51.2 p90 -140.67 170.24 16.13 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.061 0.763 . . . . 0.36 113.061 -168.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.568 ' HB3' ' HG2' ' A' ' 5' ' ' ARG . 36.6 p -132.81 144.76 50.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.863 -1.062 . . . . 1.08 109.498 173.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.512 ' HA ' HG23 ' A' ' 69' ' ' VAL . 42.7 p90 -142.85 157.15 44.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.674 0.273 . . . . 0.41 110.793 -176.258 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.412 ' HG3' ' CG2' ' A' ' 69' ' ' VAL . 57.8 mtm-85 -107.97 139.63 42.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.311 -0.404 . . . . 3.07 110.166 177.141 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.467 HD11 ' CZ2' ' A' ' 30' ' ' TRP . 13.3 mt -103.79 121.83 43.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.592 -0.277 . . . . 1.04 111.532 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.408 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 21.8 m-20 -82.76 164.24 47.8 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.14 -0.689 . . . . 1.87 109.14 174.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.408 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 6.7 Cg_exo -73.44 1.79 6.42 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 123.093 2.529 . . . . 1.62 111.956 -176.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -94.6 -14.83 24.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.682 -0.69 . . . . 2.43 109.685 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.95 26.38 10.45 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 110.893 -0.883 . . . . 1.08 110.893 -173.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 87.0 mmm -98.8 137.87 36.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.526 -0.337 . . . . 2.74 110.111 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -117.7 104.47 11.02 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.897 -0.592 . . . . 0.54 109.469 -176.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.89 122.35 45.6 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.021 -0.536 . . . . 0.71 110.587 -176.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.42 HD11 ' HB2' ' A' ' 56' ' ' PHE . 60.5 tp -68.98 126.45 29.83 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.002 -0.999 . . . . 1.18 110.725 -177.106 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.512 HG23 ' HA ' ' A' ' 58' ' ' PHE . 39.0 t -91.47 -58.36 3.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.114 -0.494 . . . . 1.01 110.116 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.0 p -146.67 147.22 30.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.398 -0.819 . . . . 0.42 109.935 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.68 HG23 ' HB3' ' A' ' 56' ' ' PHE . 7.9 p -144.96 134.45 18.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.889 0.376 . . . . 0.32 110.357 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -128.64 137.39 30.84 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.076 -0.511 . . . . 0.29 110.298 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.401 ' HA ' HG12 ' A' ' 54' ' ' VAL . 20.1 Cg_endo -60.52 132.18 41.98 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.698 2.266 . . . . 0.81 112.191 179.261 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.765 HE22 ' HB ' ' A' ' 7' ' ' VAL . 10.4 pt20 -127.22 178.49 6.0 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.584 -0.734 . . . . 1.08 110.121 -177.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.41 ' O ' ' HB2' ' A' ' 76' ' ' GLN . 46.2 t -130.31 96.39 2.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 108.037 -1.097 . . . . 1.64 108.037 -174.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 74.1 mt-30 66.58 -93.34 0.03 OUTLIER 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 115.47 -0.786 . . . . 2.57 111.051 -173.342 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.5 p -115.82 1.32 13.39 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 114.599 -1.182 . . . . 3.72 110.619 176.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.684 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . . . 64.63 13.32 8.22 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.235 -0.893 . . . . 3.65 111.695 178.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.16 4.99 66.15 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.826 -0.702 . . . . 5.36 112.248 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -125.44 122.44 36.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.957 0.408 . . . . 6.59 110.408 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.462 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 55.4 tttp -75.06 128.06 85.6 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 115.931 -0.577 . . . . 10.72 110.7 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 81' ' ' LYS . 2.2 Cg_endo . . . . . 0 C--O 1.247 0.939 0 C-N-CA 123.163 2.575 . . . . 11.77 111.377 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.637 ' HA3' ' O ' ' A' ' 60' ' ' LEU . . . . . . . . 0 N--CA 1.481 1.648 0 N-CA-C 112.226 -0.349 . . . . 1.67 112.226 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -68.67 160.35 49.86 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 123.096 2.53 . . . . 0.95 112.719 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -105.47 116.49 32.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.512 -0.767 . . . . 1.13 109.96 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 64.7 m-70 -113.29 165.3 12.56 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.431 -0.581 . . . . 0.55 109.431 -179.068 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.512 ' HA ' ' HA ' ' A' ' 57' ' ' SER . 96.9 mtt180 -108.27 155.96 19.9 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.818 0.342 . . . . 2.51 110.724 177.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.406 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . . . -155.25 148.55 24.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.018 -0.537 . . . . 0.41 110.826 177.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.437 ' HB ' HE22 ' A' ' 74' ' ' GLN . 26.9 m -118.84 152.46 21.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.036 -0.529 . . . . 0.24 109.719 173.354 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.448 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 178.4 -157.99 22.28 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 119.846 -1.168 . . . . 0.28 113.255 178.225 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.434 ' HA ' ' HD3' ' A' ' 53' ' ' ARG . 14.8 ttm-85 -118.25 132.91 56.28 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.787 -0.449 . . . . 3.19 109.787 -176.565 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.664 HD11 HG21 ' A' ' 54' ' ' VAL . 52.0 mm -68.44 121.35 17.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 C-N-CA 120.506 -0.478 . . . . 0.23 109.723 176.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -87.67 -50.54 6.43 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.978 -0.555 . . . . 1.13 109.684 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.9 m -161.35 149.67 15.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.169 -0.469 . . . . 0.75 109.909 175.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.717 HG23 HD22 ' A' ' 18' ' ' LEU . 65.6 mt -95.46 127.82 47.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.877 0.37 . . . . 0.77 110.152 175.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -99.8 -155.07 28.14 Favored Glycine 0 CA--C 1.511 -0.161 0 CA-C-N 116.055 -0.521 . . . . 1.06 113.177 -176.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -76.52 -46.34 26.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.385 0.612 . . . . 2.51 110.187 -178.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.16 14.28 1.85 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.208 -0.906 . . . . 3.93 110.307 178.646 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.869 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 5.5 p -154.85 146.75 23.49 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.872 -0.603 . . . . 0.94 109.663 -179.274 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.717 HD22 HG23 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -121.71 136.41 54.94 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 109.368 -0.604 . . . . 1.03 109.368 -178.596 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.746 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 17.5 mt -82.0 129.98 36.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 108.683 -0.858 . . . . 0.56 108.683 177.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.1 mt -129.64 127.18 64.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.222 -0.445 . . . . 0.21 110.832 -175.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.48 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -77.46 91.13 3.88 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.159 -0.682 . . . . 0.22 109.159 171.111 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.448 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 26.4 p80 -89.48 155.08 19.53 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.961 -0.563 . . . . 0.27 110.242 -178.444 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.39 -165.16 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.973 -0.558 . . . . 3.05 111.505 178.146 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.611 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -58.62 -47.82 83.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.795 -0.639 . . . . 1.5 111.666 -176.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.504 HG22 ' H ' ' A' ' 28' ' ' ALA . 20.0 mt 74.41 91.41 0.06 OUTLIER Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.83 -0.623 . . . . 0.63 110.855 -177.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.65 -2.42 12.64 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.647 2.231 . . . . 0.97 111.137 175.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.424 ' HB3' ' HB3' ' A' ' 4' ' ' HIS . 4.7 m -78.56 -29.15 46.16 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.087 -0.961 . . . . 1.1 110.613 178.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.504 ' H ' HG22 ' A' ' 25' ' ' ILE . . . -123.17 -4.12 8.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.89 111.226 -178.457 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 65.16 51.3 1.67 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.383 0.611 . . . . 2.21 111.353 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 49.3 m0 -104.79 174.47 5.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.519 -0.764 . . . . 1.02 110.053 175.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -122.2 41.58 1.81 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.7 -0.762 . . . . 1.67 113.188 -176.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.611 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 69.52 112.38 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.527 0.68 . . . . 0.57 111.853 175.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 24.5 ptp -157.03 151.66 25.56 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.902 -0.59 . . . . 0.84 110.47 -176.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.48 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 32.7 m -88.62 106.52 18.37 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.911 -0.586 . . . . 0.75 110.259 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 77.7 mtp -120.15 163.12 18.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.528 -0.76 . . . . 1.6 111.335 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.746 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 35.3 tt0 -99.54 133.3 44.06 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.25 178.414 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -112.62 120.74 42.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.727 0.298 . . . . 0.37 110.414 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.869 ' HA ' ' HB3' ' A' ' 17' ' ' SER . . . -76.28 136.6 39.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.924 -0.58 . . . . 0.34 110.646 -178.346 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.84 153.53 37.68 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.553 -0.294 . . . . 0.6 110.394 -177.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 26.0 Cg_endo -62.96 151.09 86.39 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.159 1.906 . . . . 1.1 110.675 171.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 40' ' ' PRO . 38.9 Cg_exo -57.87 -11.95 10.89 Favored 'Trans proline' 0 N--CA 1.474 0.341 0 C-N-CA 123.086 2.524 . . . . 2.05 112.515 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.81 -26.87 67.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.768 -0.651 . . . . 1.33 111.03 176.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 99.85 171.53 30.16 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.994 -0.622 . . . . 0.93 113.355 174.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.502 ' HG ' HD11 ' A' ' 18' ' ' LEU . 2.9 mm? -96.92 150.26 36.66 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 120.904 0.383 . . . . 0.97 111.062 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.726 ' HD2' HD21 ' A' ' 48' ' ' LEU . 6.0 Cg_exo -73.79 -165.41 0.25 Allowed 'Trans proline' 0 CA--C 1.52 -0.221 0 C-N-CA 123.627 2.884 . . . . 0.69 111.801 170.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.21 154.06 23.9 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.397 -0.82 . . . . 2.12 110.11 179.21 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.16 20.49 20.52 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.765 -0.731 . . . . 0.63 111.961 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.726 HD21 ' HD2' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -136.87 47.47 2.14 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.876 0.37 . . . . 1.06 111.699 -177.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.575 ' HG2' ' OD2' ' A' ' 52' ' ' ASP . 9.8 ptpp? -95.61 169.21 10.19 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.608 -0.516 . . . . 3.0 109.608 -177.037 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.24 113.93 1.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.83 0.347 . . . . 0.37 110.727 178.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.56 -23.22 10.44 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.918 -0.658 . . . . 0.38 112.497 -177.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.575 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 8.7 m-20 -74.14 155.09 38.79 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 121.645 0.735 . . . . 0.53 110.902 -177.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.434 ' HD3' ' HA ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -110.69 116.61 31.61 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.109 -0.95 . . . . 3.26 108.474 174.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.664 HG21 HD11 ' A' ' 10' ' ' ILE . 15.6 m -124.19 150.42 28.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-O 121.046 0.451 . . . . 0.3 111.442 -174.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.31 120.23 41.9 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.588 -0.893 . . . . 0.16 108.588 174.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.532 ' HB3' HG23 ' A' ' 71' ' ' VAL . 47.7 p90 -139.19 171.71 13.89 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.799 0.666 . . . . 0.36 112.799 -169.455 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.512 ' HA ' ' HA ' ' A' ' 5' ' ' ARG . 44.5 p -126.01 147.67 49.48 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.842 -1.072 . . . . 1.08 109.318 175.179 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.467 ' HA ' HG23 ' A' ' 69' ' ' VAL . 30.3 p90 -147.56 155.39 41.79 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.66 0.266 . . . . 0.41 110.827 -177.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -104.38 160.64 14.74 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.944 -0.391 . . . . 3.07 109.944 175.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.637 ' O ' ' HA3' ' A' ' 1' ' ' GLY . 18.2 mt -125.53 114.41 18.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.942 -0.572 . . . . 1.04 110.656 173.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.712 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 59.9 m-20 -79.97 164.66 51.74 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 108.607 -0.886 . . . . 1.87 108.607 176.143 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.417 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 16.9 Cg_exo -67.85 0.97 3.67 Favored 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 122.898 2.399 . . . . 1.62 113.524 -170.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -105.25 -8.25 18.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.215 0.531 . . . . 2.43 110.562 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.09 31.45 7.27 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.498 -0.774 . . . . 1.08 111.281 -175.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.712 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 82.7 mmm -87.81 124.12 33.3 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.92 -0.4 . . . . 2.74 109.92 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -106.61 107.2 18.1 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.947 -0.569 . . . . 0.54 109.628 -175.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.1 120.74 43.44 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.088 -0.505 . . . . 0.71 110.873 -175.617 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.33 116.67 14.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.773 -0.649 . . . . 1.18 109.367 -178.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.467 HG23 ' HA ' ' A' ' 58' ' ' PHE . 24.0 t -88.21 -66.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.03 0.443 . . . . 1.01 110.436 -177.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.4 p -138.0 143.54 40.67 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.029 -0.532 . . . . 0.42 109.94 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.532 HG23 ' HB3' ' A' ' 56' ' ' PHE . 7.3 p -135.81 129.97 48.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.057 0.456 . . . . 0.32 110.232 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -118.44 139.06 26.4 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 116.11 -0.495 . . . . 0.29 110.23 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -64.06 107.7 0.83 Allowed 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.539 2.16 . . . . 0.81 112.374 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.437 HE22 ' HB ' ' A' ' 7' ' ' VAL . 8.8 pt20 -99.94 178.56 4.77 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.502 -0.925 . . . . 1.08 108.502 174.142 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.8 p -139.34 94.62 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.199 0 CA-C-O 121.735 0.778 . . . . 1.64 109.555 -176.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 60.82 -96.46 0.06 Allowed 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 114.234 -1.348 . . . . 2.57 111.341 -175.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.7 m -114.31 102.17 9.86 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 115.828 -0.623 . . . . 3.72 109.985 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.41 -33.07 70.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.295 -0.866 . . . . 3.65 111.862 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 163.92 -149.03 15.77 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.731 -0.747 . . . . 5.36 112.333 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.72 140.96 29.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.83 0.348 . . . . 6.59 110.727 -179.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 20.7 pttp -92.63 146.02 31.5 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.294 -0.412 . . . . 10.72 110.365 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 81' ' ' LYS . 7.9 Cg_exo . . . . . 0 C--O 1.246 0.908 0 C-N-CA 122.982 2.454 . . . . 11.77 111.197 172.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.742 0 N-CA-C 112.022 -0.431 . . . . 1.67 112.022 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -63.41 152.97 77.45 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.216 2.61 . . . . 0.95 112.892 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -90.86 129.73 36.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.462 -0.79 . . . . 1.13 110.289 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.448 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 89.1 m-70 -125.88 141.66 51.88 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.569 -0.287 . . . . 0.55 110.573 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.67 ' HD3' ' OG ' ' A' ' 57' ' ' SER . 46.5 mmt-85 -67.99 145.15 54.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.853 -0.612 . . . . 2.51 110.298 177.624 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -153.47 136.7 15.67 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 120.728 0.299 . . . . 0.41 110.685 175.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.0 m -120.11 152.26 22.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.703 -0.48 . . . . 0.24 109.703 175.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.65 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 178.77 -170.67 42.66 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.331 -0.938 . . . . 0.28 112.544 179.283 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.4 ttt-85 -116.07 130.52 56.85 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.64 -0.504 . . . . 3.19 109.64 -177.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.527 HD11 HG21 ' A' ' 54' ' ' VAL . 31.0 mm -62.86 134.12 28.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.173 -0.467 . . . . 0.23 110.652 -177.041 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -99.18 -47.1 5.32 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.0 -0.545 . . . . 1.13 109.831 -178.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.0 m -161.67 151.28 16.5 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.438 -0.578 . . . . 0.75 109.438 176.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.771 HD11 ' HA ' ' A' ' 49' ' ' LYS . 52.5 mt -101.27 137.1 30.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.21 0.528 . . . . 0.77 111.318 178.401 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.707 ' H ' ' HB3' ' A' ' 18' ' ' LEU . . . -126.64 160.98 21.01 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.999 -0.84 . . . . 1.06 110.999 173.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -62.73 -40.14 96.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.012 0.434 . . . . 2.51 111.944 -175.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.95 -12.64 8.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.275 -0.421 . . . . 3.93 111.706 -176.476 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.453 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 1.9 p -157.05 141.42 16.55 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.217 -0.447 . . . . 0.94 110.036 178.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.707 ' HB3' ' H ' ' A' ' 14' ' ' GLY . 0.5 OUTLIER -139.27 139.64 37.43 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.025 0.441 . . . . 1.03 110.833 -177.581 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.878 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 15.7 mt -85.05 130.59 35.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.949 -0.569 . . . . 0.56 110.236 -174.686 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.9 mt -130.04 122.51 54.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.107 -0.497 . . . . 0.21 110.536 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.614 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -74.33 90.9 2.16 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.35 -0.611 . . . . 0.22 109.35 173.239 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.65 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 26.6 p80 -87.02 155.66 20.07 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.853 -0.612 . . . . 0.27 110.326 -178.448 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -66.55 -166.35 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.892 -0.594 . . . . 3.05 110.953 177.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.589 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -60.01 -45.47 92.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.981 -0.554 . . . . 1.5 111.242 -179.634 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.544 HG22 ' H ' ' A' ' 28' ' ' ALA . 44.9 mt 74.09 94.21 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.015 -0.539 . . . . 0.63 111.091 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.78 -17.4 29.29 Favored 'Trans proline' 0 CA--C 1.527 0.17 0 C-N-CA 122.431 2.088 . . . . 0.97 111.797 178.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.448 ' CB ' ' HB3' ' A' ' 4' ' ' HIS . 14.6 m -72.29 -29.68 64.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.712 -0.676 . . . . 1.1 111.028 -179.285 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.544 ' H ' HG22 ' A' ' 25' ' ' ILE . . . -114.02 -1.37 13.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.33 -0.396 . . . . 0.89 110.627 -179.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 59.46 35.44 22.9 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.37 -0.832 . . . . 2.21 111.302 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 47.4 m0 -89.2 173.74 8.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.039 -0.528 . . . . 1.02 110.605 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.32 35.52 3.6 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.701 -0.762 . . . . 1.67 113.232 -176.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.589 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 69.43 127.3 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.281 0.632 . . . . 0.57 112.448 176.159 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 15.0 ptt? -171.82 147.96 2.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.658 -0.701 . . . . 0.84 110.346 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.614 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 6.7 m -78.51 102.23 7.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.03 -0.532 . . . . 0.75 109.893 179.374 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 37.9 ttm -123.72 143.9 50.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.364 -0.38 . . . . 1.6 111.352 -174.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.878 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 45.0 tt0 -83.94 133.32 34.71 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.552 -0.749 . . . . 1.0 110.745 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -110.7 145.35 38.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.237 -0.438 . . . . 0.37 110.118 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.638 ' HB3' HG23 ' A' ' 67' ' ' THR . . . -82.68 142.5 31.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.518 -0.31 . . . . 0.34 110.201 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.75 142.51 98.2 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.561 -0.29 . . . . 0.6 111.148 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.19 153.53 52.14 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.717 2.278 . . . . 1.1 111.529 176.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -61.87 -16.12 47.3 Favored 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 122.807 2.338 . . . . 2.05 112.785 -177.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.97 -15.89 31.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.239 -0.437 . . . . 1.33 111.021 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 112.91 -172.55 14.58 Favored Glycine 0 N--CA 1.44 -1.057 0 C-N-CA 120.9 -0.667 . . . . 0.93 111.629 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.1 mt -109.03 137.3 20.1 Favored Pre-proline 0 C--N 1.314 -0.937 0 CA-C-O 121.085 0.469 . . . . 0.97 111.335 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.636 ' HD2' HD21 ' A' ' 48' ' ' LEU . 71.7 Cg_endo -85.47 -166.61 0.35 Allowed 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 123.444 2.763 . . . . 0.69 111.787 173.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.47 146.15 43.7 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.45 -0.796 . . . . 2.12 110.183 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.87 15.43 9.29 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.941 -0.647 . . . . 0.63 111.707 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.636 HD21 ' HD2' ' A' ' 45' ' ' PRO . 0.4 OUTLIER -134.05 45.65 2.6 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 111.693 0.256 . . . . 1.06 111.693 -175.794 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.771 ' HA ' HD11 ' A' ' 13' ' ' ILE . 18.6 ptpt -95.61 164.23 12.87 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.304 -0.559 . . . . 3.0 111.134 -175.572 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.87 110.08 0.32 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.582 -0.735 . . . . 0.37 111.848 -177.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.63 -9.69 12.81 Favored Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.572 -0.823 . . . . 0.38 112.736 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -93.65 157.94 15.93 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 121.09 0.472 . . . . 0.53 111.1 177.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.982 ' HD3' ' HA ' ' A' ' 76' ' ' GLN . 15.9 ttt180 -108.89 127.76 54.32 Favored 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 108.677 -0.861 . . . . 3.26 108.677 171.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.572 ' HA ' ' H ' ' A' ' 74' ' ' GLN . 10.7 m -130.15 154.55 40.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.421 -0.354 . . . . 0.3 110.619 -177.099 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.469 ' HB2' ' HG3' ' A' ' 74' ' ' GLN . . . -108.32 122.36 46.81 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.922 -0.77 . . . . 0.16 108.922 175.162 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.687 ' HB3' HG23 ' A' ' 71' ' ' VAL . 47.0 p90 -142.1 -177.06 5.05 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.542 -0.299 . . . . 0.36 110.958 -172.093 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.67 ' OG ' ' HD3' ' A' ' 5' ' ' ARG . 28.8 m -139.36 -176.91 4.69 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 109.229 -0.656 . . . . 1.08 109.229 167.391 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -162.28 158.16 23.86 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 120.709 0.29 . . . . 0.41 110.237 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.401 ' HG3' ' CG1' ' A' ' 69' ' ' VAL . 40.4 mtm180 -105.73 139.49 40.23 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.67 -0.863 . . . . 3.07 108.67 172.109 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 60' ' ' LEU . 11.4 mt -89.5 115.97 27.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.175 0.512 . . . . 1.04 110.648 178.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 1.009 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 1.4 m-20 -86.55 164.43 37.63 Favored Pre-proline 0 C--N 1.315 -0.916 0 CA-C-N 115.419 -0.81 . . . . 1.87 108.941 178.025 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.449 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 35.1 Cg_exo -59.99 -18.83 52.5 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 123.214 2.609 . . . . 1.62 114.589 -165.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.484 ' HB2' ' SD ' ' A' ' 65' ' ' MET . 12.3 m-70 -90.67 -1.6 57.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.928 0.394 . . . . 2.43 111.605 -178.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.51 28.62 21.52 Favored Glycine 0 C--N 1.314 -0.678 0 N-CA-C 109.524 -1.43 . . . . 1.08 109.524 -171.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' MET . . . . . 1.009 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 44.5 mtp -84.04 144.86 28.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.424 -0.888 . . . . 2.74 109.506 -177.312 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -119.37 97.99 5.93 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.265 -0.643 . . . . 0.54 109.265 -175.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.638 HG23 ' HB3' ' A' ' 38' ' ' ALA . 2.9 m -98.61 118.58 35.64 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 115.381 -0.827 . . . . 0.71 110.616 -175.505 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 44.5 tp -62.81 127.71 32.51 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.628 -0.715 . . . . 1.18 110.52 -176.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.644 HG22 ' C ' ' A' ' 57' ' ' SER . 15.2 m -97.68 -58.48 3.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.907 -0.588 . . . . 1.01 111.339 -178.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.598 ' H ' HG23 ' A' ' 69' ' ' VAL . 4.2 p -147.33 139.56 24.5 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.574 -0.739 . . . . 0.42 109.318 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.687 HG23 ' HB3' ' A' ' 56' ' ' PHE . 11.5 p -135.42 140.31 45.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.825 0.345 . . . . 0.32 110.408 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -133.84 138.12 30.12 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 116.259 -0.428 . . . . 0.29 110.205 176.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.557 ' HA ' HG12 ' A' ' 54' ' ' VAL . 78.3 Cg_exo -52.5 113.95 1.45 Allowed 'Trans proline' 0 CA--C 1.532 0.415 0 C-N-CA 123.072 2.515 . . . . 0.81 112.691 179.044 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.572 ' H ' ' HA ' ' A' ' 54' ' ' VAL . 2.9 tt0 -89.59 173.63 8.21 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.041 -0.527 . . . . 1.08 110.207 178.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.2 t -135.52 76.95 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.324 -0.621 . . . . 1.64 109.324 174.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.982 ' HA ' ' HD3' ' A' ' 53' ' ' ARG . 10.2 pt20 42.02 -101.08 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.232 -0.895 . . . . 2.57 113.398 -176.321 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.587 ' H ' ' HG3' ' A' ' 76' ' ' GLN . 4.7 m -84.08 -1.09 54.23 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 112.491 0.552 . . . . 3.72 112.491 -172.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.05 102.54 3.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.955 0.407 . . . . 3.65 110.522 178.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 139.77 -15.48 3.1 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.541 -0.623 . . . . 5.36 111.541 -176.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -141.72 172.01 13.28 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.036 -0.357 . . . . 6.59 110.036 177.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 48.6 pttt -97.0 132.16 26.35 Favored Pre-proline 0 C--N 1.323 -0.569 0 C-N-CA 120.737 -0.385 . . . . 10.72 110.353 177.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo . . . . . 0 C--O 1.25 1.098 0 C-N-CA 122.455 2.103 . . . . 11.77 111.795 175.373 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.907 0 N-CA-C 111.812 -0.515 . . . . 1.67 111.812 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -62.75 124.8 14.74 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 123.395 2.73 . . . . 0.95 112.973 -174.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 34.5 tt0 -95.83 121.88 38.02 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.059 -0.973 . . . . 1.13 109.597 179.049 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.421 ' HB3' ' OG ' ' A' ' 27' ' ' SER . 67.0 m-70 -122.97 125.81 45.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.181 -0.463 . . . . 0.55 110.023 -176.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.828 ' HG2' ' HB2' ' A' ' 57' ' ' SER . 75.0 mtt180 -75.42 141.54 43.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.833 0.349 . . . . 2.51 110.726 176.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -146.99 144.47 29.19 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.405 -0.816 . . . . 0.41 110.697 -178.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.6 m -111.97 152.07 13.89 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 115.904 -0.589 . . . . 0.24 110.419 175.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.483 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 178.77 -166.96 37.03 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.373 -0.918 . . . . 0.28 112.301 178.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.421 ' HA ' ' HA ' ' A' ' 53' ' ' ARG . 62.7 ttt180 -123.11 136.1 54.65 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.377 -0.601 . . . . 3.19 109.377 -178.354 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.659 HD11 HG21 ' A' ' 54' ' ' VAL . 30.9 mm -67.53 133.27 31.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.906 0.384 . . . . 0.23 110.11 -176.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.565 ' HG2' HG21 ' A' ' 34' ' ' THR . 6.1 tp60 -93.69 -49.72 5.72 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.91 -0.587 . . . . 1.13 109.656 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.556 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 43.5 m -161.66 153.03 18.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.979 -0.555 . . . . 0.75 110.114 177.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.809 HG23 HD22 ' A' ' 18' ' ' LEU . 42.9 mt -99.82 134.03 40.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.733 0.301 . . . . 0.77 110.301 177.436 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' A' ' 17' ' ' SER . . . -102.29 -150.84 23.34 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 121.249 -0.501 . . . . 1.06 111.958 178.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -100.75 -36.99 8.91 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.409 0.623 . . . . 2.51 109.84 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.21 3.35 2.86 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.305 -0.861 . . . . 3.93 110.55 178.548 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.4 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 8.3 p -155.29 147.81 24.07 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.587 -0.733 . . . . 0.94 109.711 179.298 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.809 HD22 HG23 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -124.59 145.95 49.32 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 109.53 -0.544 . . . . 1.03 109.53 179.477 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.626 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 20.3 mt -92.6 129.83 42.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 N-CA-C 109.459 -0.571 . . . . 0.56 109.459 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 54.3 mt -129.47 128.5 66.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.315 -0.402 . . . . 0.21 111.052 -176.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.528 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -77.87 94.41 4.54 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.281 -0.637 . . . . 0.22 109.281 171.246 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.483 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 25.6 p80 -96.77 153.77 17.68 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.275 -0.42 . . . . 0.27 111.193 -176.271 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -63.59 -169.51 0.03 OUTLIER 'General case' 0 C--O 1.239 0.517 0 CA-C-N 115.249 -0.887 . . . . 3.05 111.381 175.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.554 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -63.85 -32.09 73.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.01 -0.541 . . . . 1.5 111.534 -176.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.452 HD12 ' CE3' ' A' ' 30' ' ' TRP . 52.9 mt 67.86 86.15 0.13 Allowed Pre-proline 0 C--N 1.321 -0.648 0 CA-C-O 121.037 0.446 . . . . 0.63 110.145 -178.678 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -72.56 -3.18 12.98 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.89 2.393 . . . . 0.97 112.065 -177.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.421 ' OG ' ' HB3' ' A' ' 4' ' ' HIS . 6.1 p -90.82 -21.23 21.59 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.121 -0.49 . . . . 1.1 110.731 178.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -117.42 -7.45 11.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.411 -0.358 . . . . 0.89 111.239 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.9 mp0 62.86 42.26 7.97 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.991 -0.55 . . . . 2.21 111.623 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.452 ' CE3' HD12 ' A' ' 25' ' ' ILE . 48.3 m0 -92.8 173.94 7.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.159 -0.473 . . . . 1.02 109.795 175.187 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.65 29.38 6.95 Favored Glycine 0 C--N 1.32 -0.354 0 C-N-CA 120.197 -1.001 . . . . 1.67 113.611 -174.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.554 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 68.53 123.79 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.126 0.571 . . . . 0.57 112.05 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 17.2 ptt? -172.14 152.79 2.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.792 -0.64 . . . . 0.84 110.786 -178.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.565 HG21 ' HG2' ' A' ' 11' ' ' GLN . 46.4 m -82.56 105.22 13.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.013 -0.539 . . . . 0.75 110.446 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 81.3 mtp -120.36 164.69 15.95 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 116.082 -0.508 . . . . 1.6 111.88 -177.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.626 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 41.0 tt0 -101.95 131.35 48.4 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.441 -0.799 . . . . 1.0 110.444 179.123 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -115.41 140.54 49.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.37 110.337 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.63 149.34 27.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.211 -0.45 . . . . 0.34 110.998 -176.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.91 134.77 95.15 Favored Pre-proline 0 C--O 1.236 0.379 0 CA-C-N 116.423 -0.353 . . . . 0.6 111.825 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.411 ' HD3' ' HB3' ' A' ' 68' ' ' LEU . 18.8 Cg_endo -61.28 157.84 38.36 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 123.075 2.517 . . . . 1.1 111.975 175.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -63.9 -8.6 16.29 Favored 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 122.806 2.337 . . . . 2.05 112.958 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.93 -15.86 25.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.477 -0.329 . . . . 1.33 111.502 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.14 174.88 26.44 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 120.942 -0.646 . . . . 0.93 111.545 -177.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.453 HD13 HD21 ' A' ' 18' ' ' LEU . 66.3 mt -104.69 133.52 20.13 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-O 120.88 0.371 . . . . 0.97 111.292 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.494 ' HD2' HD21 ' A' ' 48' ' ' LEU . 84.1 Cg_endo -83.15 -173.09 1.55 Allowed 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 123.496 2.798 . . . . 0.69 111.987 175.124 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.48 157.37 16.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.301 -0.409 . . . . 2.12 110.776 172.677 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.23 14.58 27.99 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.787 -0.721 . . . . 0.63 111.709 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.783 HD23 HG11 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -127.48 46.75 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.761 0.315 . . . . 1.06 111.116 179.569 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.561 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 7.1 ptpp? -95.3 164.4 12.85 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.725 -0.39 . . . . 3.0 110.395 -173.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.556 ' HB2' ' HA ' ' A' ' 12' ' ' SER . . . -54.14 103.17 0.07 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.701 -0.681 . . . . 0.37 110.543 176.631 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 125.97 -20.67 6.32 Favored Glycine 0 N--CA 1.442 -0.956 0 C-N-CA 120.86 -0.686 . . . . 0.38 112.549 -178.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.532 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 62.8 m-20 -80.49 146.39 31.39 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 116.964 0.382 . . . . 0.53 110.709 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.467 ' HD3' ' HA ' ' A' ' 76' ' ' GLN . 32.8 ttm105 -102.27 122.59 44.51 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.343 -0.614 . . . . 3.26 109.343 172.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.659 HG21 HD11 ' A' ' 10' ' ' ILE . 17.2 m -127.98 153.32 37.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.283 0.563 . . . . 0.3 111.768 -172.148 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.4 118.92 37.92 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.555 -0.905 . . . . 0.16 108.555 173.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.672 ' HB3' HG23 ' A' ' 71' ' ' VAL . 50.5 p90 -138.3 -179.58 5.88 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.765 0.317 . . . . 0.36 111.176 -171.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.828 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 32.2 t -135.59 -178.28 5.05 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 107.864 -1.161 . . . . 1.08 107.864 168.335 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -171.66 155.56 4.06 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.785 -0.45 . . . . 0.41 109.785 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 59' ' ' ARG . 8.3 mtm180 -108.62 149.13 29.35 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.928 -0.397 . . . . 3.07 109.928 178.372 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.43 ' HA ' HD23 ' A' ' 60' ' ' LEU . 10.8 mt -94.73 105.39 17.33 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.956 -0.757 . . . . 1.04 108.956 166.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.652 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 22.1 m-20 -77.61 160.0 75.72 Favored Pre-proline 0 C--N 1.314 -0.953 0 N-CA-C 108.553 -0.906 . . . . 1.87 108.553 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -66.82 1.42 2.76 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 123.205 2.604 . . . . 1.62 113.952 -169.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -102.83 2.84 35.99 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.026 0.441 . . . . 2.43 110.655 176.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.54 34.07 29.47 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.276 -1.13 . . . . 1.08 110.276 -174.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.652 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 92.2 mmm -96.5 147.72 23.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.108 -0.546 . . . . 2.74 110.253 -177.332 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.94 97.4 5.67 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.631 -0.878 . . . . 0.54 108.631 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.4 m -110.41 123.67 50.31 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.592 -0.731 . . . . 0.71 111.12 -172.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.411 ' HB3' ' HD3' ' A' ' 40' ' ' PRO . 56.6 tp -65.18 136.99 57.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.253 -0.885 . . . . 1.18 109.955 -179.189 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.613 HG22 ' C ' ' A' ' 57' ' ' SER . 14.1 m -104.44 -57.13 4.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.11 0.481 . . . . 1.01 111.782 -178.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.565 ' H ' HG23 ' A' ' 69' ' ' VAL . 13.8 p -145.42 145.59 31.19 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.822 -0.807 . . . . 0.42 108.822 -178.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.783 HG11 HD23 ' A' ' 48' ' ' LEU . 8.7 p -142.43 137.81 29.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.894 0.378 . . . . 0.32 110.427 -179.316 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -137.12 137.95 24.2 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.232 -0.44 . . . . 0.29 110.682 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -61.4 126.37 19.09 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.725 2.283 . . . . 0.81 111.716 177.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.525 ' HG2' ' C ' ' A' ' 54' ' ' VAL . 1.8 pt20 -128.27 175.75 8.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.307 0.575 . . . . 1.08 111.154 -176.12 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.591 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 9.5 m -128.93 73.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.629 -0.714 . . . . 1.64 110.928 -176.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.591 ' HG2' ' O ' ' A' ' 75' ' ' VAL . 19.2 pt20 58.13 -60.62 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.312 1.445 . . . . 2.57 114.869 176.029 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.482 HG23 ' HG3' ' A' ' 76' ' ' GLN . 11.5 p -87.91 23.35 2.07 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 113.144 0.794 . . . . 3.72 113.144 -173.117 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.49 23.9 1.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.148 0.499 . . . . 3.65 110.924 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -151.23 -72.73 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 111.548 -0.621 . . . . 5.36 111.548 178.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -149.08 -177.88 6.06 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.794 -0.447 . . . . 6.59 109.794 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 45.0 tttm -100.43 121.47 53.15 Favored Pre-proline 0 C--N 1.324 -0.508 0 C-N-CA 121.151 -0.219 . . . . 10.72 110.57 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo . . . . . 0 N--CA 1.444 -1.385 0 C-N-CA 122.811 2.341 . . . . 11.77 111.201 172.436 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.712 0 N-CA-C 112.026 -0.43 . . . . 1.67 112.026 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -64.26 147.62 91.08 Favored 'Trans proline' 0 C--O 1.237 0.457 0 C-N-CA 123.0 2.467 . . . . 0.95 112.816 -176.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.403 ' HB2' ' HG2' ' A' ' 59' ' ' ARG . 55.9 tt0 -99.49 133.88 43.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.613 -0.721 . . . . 1.13 109.921 -178.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.569 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 83.5 m-70 -125.54 148.17 49.0 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.28 -0.267 . . . . 0.55 110.28 -178.212 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.636 ' HD3' ' HB3' ' A' ' 57' ' ' SER . 26.8 mmt180 -79.69 143.67 34.39 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 110.065 -0.346 . . . . 2.51 110.065 178.324 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -153.13 139.38 18.44 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.871 0.367 . . . . 0.41 110.741 177.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.529 HG23 ' HG3' ' A' ' 23' ' ' GLU . 28.0 m -117.28 149.23 19.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.458 -0.337 . . . . 0.24 110.233 176.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.445 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -173.56 -166.14 31.41 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.433 -0.889 . . . . 0.28 112.779 177.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -121.25 147.49 45.56 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.167 -0.308 . . . . 3.19 110.167 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.605 HD11 HG21 ' A' ' 54' ' ' VAL . 34.9 mm -83.38 128.97 38.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.455 -0.339 . . . . 0.23 111.415 -178.057 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 -92.7 -50.82 5.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.0 0.429 . . . . 1.13 110.116 173.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.1 m -160.16 150.57 18.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.788 -0.642 . . . . 0.75 109.934 177.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.671 HD11 ' HA ' ' A' ' 49' ' ' LYS . 76.4 mt -99.25 144.11 12.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.192 -0.458 . . . . 0.77 110.67 -179.545 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.651 ' H ' ' HB3' ' A' ' 18' ' ' LEU . . . -128.25 160.48 22.02 Favored Glycine 0 N--CA 1.44 -1.051 0 N-CA-C 110.949 -0.86 . . . . 1.06 110.949 175.162 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -68.55 -33.74 74.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.056 0.455 . . . . 2.51 110.896 -176.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.452 ' H ' ' HD2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -115.5 -25.49 7.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.028 -0.533 . . . . 3.93 110.504 -176.844 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.496 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 17.9 p -158.15 149.05 20.78 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.028 -0.533 . . . . 0.94 110.182 -178.01 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.651 ' HB3' ' H ' ' A' ' 14' ' ' GLY . 0.7 OUTLIER -140.01 160.16 40.56 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.181 -0.463 . . . . 1.03 110.778 -176.88 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.558 HG22 HG22 ' A' ' 34' ' ' THR . 8.1 mt -103.25 130.92 52.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.218 -0.447 . . . . 0.56 111.024 -173.676 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.478 HG12 HD13 ' A' ' 10' ' ' ILE . 88.0 mt -132.87 120.91 43.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.288 -0.869 . . . . 0.21 110.475 -178.24 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.675 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -72.86 91.23 1.5 Allowed 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.133 -0.691 . . . . 0.22 109.133 170.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.445 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 28.8 p80 -84.76 154.26 22.51 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.585 -0.734 . . . . 0.27 110.432 -178.285 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.529 ' HG3' HG23 ' A' ' 7' ' ' VAL . 5.6 mm-40 -63.94 -170.54 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.395 -0.82 . . . . 3.05 110.326 174.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.77 -43.73 98.27 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.053 -0.521 . . . . 1.5 110.91 -178.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.402 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 51.9 mt 71.95 90.06 0.08 OUTLIER Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 115.619 -0.719 . . . . 0.63 111.144 179.164 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 25' ' ' ILE . 33.5 Cg_endo -66.45 -19.15 55.31 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.585 2.19 . . . . 0.97 111.334 176.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.569 ' HB3' ' HB3' ' A' ' 4' ' ' HIS . 3.4 m -61.02 -30.92 70.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.343 -0.844 . . . . 1.1 111.457 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.99 2.23 9.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.294 -0.412 . . . . 0.89 111.371 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.1 mp0 60.18 36.77 20.95 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.325 0.583 . . . . 2.21 110.9 -178.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 31.4 m0 -94.42 175.23 6.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.512 -0.767 . . . . 1.02 111.462 -178.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -104.68 167.27 15.3 Favored Glycine 0 N--CA 1.442 -0.958 0 CA-C-N 115.212 -0.904 . . . . 1.67 111.231 171.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.0 119.98 20.7 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.761 0.315 . . . . 0.57 110.271 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -163.25 152.8 15.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.368 0.604 . . . . 0.84 111.739 -175.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.675 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 3.4 m -79.18 109.02 13.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.005 -0.998 . . . . 0.75 110.231 179.756 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 72.5 mtp -125.62 164.68 20.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.171 -0.468 . . . . 1.6 112.221 -179.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -101.11 137.23 39.74 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.379 -0.828 . . . . 1.0 110.499 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -117.53 131.13 56.75 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.491 -0.559 . . . . 0.37 109.491 176.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.605 ' HB3' HG23 ' A' ' 67' ' ' THR . . . -70.81 131.22 43.49 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.906 -0.405 . . . . 0.34 109.906 178.185 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.1 145.61 65.59 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 116.343 -0.39 . . . . 0.6 111.089 -176.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -61.77 152.73 72.44 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.36 2.04 . . . . 1.1 110.973 175.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.89 -16.74 40.03 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.995 2.463 . . . . 2.05 112.55 -177.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.75 -28.88 62.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.175 -0.466 . . . . 1.33 110.813 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 109.4 -176.17 19.39 Favored Glycine 0 N--CA 1.44 -1.073 0 N-CA-C 111.352 -0.699 . . . . 0.93 111.352 -178.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.469 ' HG ' ' CD2' ' A' ' 18' ' ' LEU . 2.7 mm? -101.12 141.59 22.92 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-O 120.635 0.255 . . . . 0.97 111.02 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.559 ' HD2' HD21 ' A' ' 48' ' ' LEU . 57.2 Cg_endo -78.09 -168.34 0.6 Allowed 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 123.034 2.489 . . . . 0.69 112.131 174.232 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -108.6 151.32 26.28 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.812 -0.631 . . . . 2.12 110.288 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.36 15.1 22.32 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 116.133 -0.485 . . . . 0.63 112.3 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.559 HD21 ' HD2' ' A' ' 45' ' ' PRO . 0.4 OUTLIER -133.19 53.1 2.04 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.953 0.406 . . . . 1.06 111.613 -177.29 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.671 ' HA ' HD11 ' A' ' 13' ' ' ILE . 32.7 mmtp -93.75 162.35 13.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.505 -0.316 . . . . 3.0 110.608 -175.218 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.91 112.2 0.49 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.045 -0.525 . . . . 0.37 110.815 174.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.62 -11.87 25.53 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.675 -0.774 . . . . 0.38 112.768 -178.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -86.15 155.07 20.91 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 121.101 0.477 . . . . 0.53 110.796 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.566 ' HG2' ' NE2' ' A' ' 74' ' ' GLN . 19.8 ttt85 -106.28 127.97 53.63 Favored 'General case' 0 N--CA 1.435 -1.175 0 N-CA-C 108.181 -1.044 . . . . 3.26 108.181 170.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.605 HG21 HD11 ' A' ' 10' ' ' ILE . 12.5 m -128.81 144.69 37.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.007 0.432 . . . . 0.3 111.48 -174.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.61 ' HB2' ' HG3' ' A' ' 74' ' ' GLN . . . -105.83 120.91 42.93 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.847 -0.797 . . . . 0.16 108.847 175.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.522 ' HB3' HG23 ' A' ' 71' ' ' VAL . 41.9 p90 -138.14 179.14 6.62 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.43 0.634 . . . . 0.36 112.071 -171.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.636 ' HB3' ' HD3' ' A' ' 5' ' ' ARG . 12.1 p -138.32 142.65 39.74 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.153 -0.93 . . . . 1.08 109.631 171.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -130.77 155.76 46.12 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.975 -0.557 . . . . 0.41 109.839 -177.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.617 ' HG3' HG21 ' A' ' 69' ' ' VAL . 76.2 mtt180 -107.33 137.39 45.46 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.856 0.36 . . . . 3.07 110.477 177.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 65' ' ' MET . 16.4 mt -103.68 127.44 51.14 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.487 -0.779 . . . . 1.04 110.554 178.35 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.459 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 1.6 m-20 -92.22 167.31 15.24 Favored Pre-proline 0 C--N 1.319 -0.75 0 N-CA-C 109.204 -0.665 . . . . 1.87 109.204 172.347 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.459 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 13.3 Cg_exo -68.42 -4.82 13.66 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.969 2.446 . . . . 1.62 111.735 -174.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.603 ' HB2' ' HG3' ' A' ' 65' ' ' MET . 82.7 m-70 -88.74 -12.6 41.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.28 -0.873 . . . . 2.43 109.988 177.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.96 32.94 16.39 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.102 -0.954 . . . . 1.08 110.966 -175.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.603 ' HG3' ' HB2' ' A' ' 63' ' ' HIS . 43.6 mtm -95.72 142.22 28.27 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 109.509 -0.552 . . . . 2.74 109.509 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.84 105.56 11.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.256 0.55 . . . . 0.54 110.04 -174.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.605 HG23 ' HB3' ' A' ' 38' ' ' ALA . 1.4 m -108.62 126.84 53.4 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.645 -0.707 . . . . 0.71 110.312 -177.109 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.46 130.79 40.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.105 -0.498 . . . . 1.18 109.661 -177.423 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.617 HG21 ' HG3' ' A' ' 59' ' ' ARG . 12.6 t -107.0 -67.36 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.063 0.458 . . . . 1.01 110.728 -178.266 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.7 p -132.05 130.72 41.67 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.142 -0.481 . . . . 0.42 110.881 -178.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.522 HG23 ' HB3' ' A' ' 56' ' ' PHE . 7.2 p -130.79 132.96 63.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.249 -0.432 . . . . 0.32 110.42 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -123.39 142.01 37.65 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.091 -0.504 . . . . 0.29 110.137 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -54.23 110.88 0.57 Allowed 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.859 2.373 . . . . 0.81 112.7 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.61 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 1.7 tt0 -81.79 173.82 11.92 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.819 -0.628 . . . . 1.08 109.829 176.519 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.444 ' O ' ' HB2' ' A' ' 76' ' ' GLN . 5.4 m -140.76 83.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 115.83 -0.623 . . . . 1.64 109.447 178.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.444 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 85.3 mm-40 68.64 -157.53 0.18 Allowed 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 115.271 -0.877 . . . . 2.57 109.458 -176.029 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.401 ' H ' ' HB3' ' A' ' 76' ' ' GLN . 16.4 m -68.69 99.17 0.97 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.084 0.468 . . . . 3.72 110.645 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -122.25 90.21 3.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.811 -0.631 . . . . 3.65 110.298 178.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -166.58 57.09 0.24 Allowed Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 110.899 -0.88 . . . . 5.36 110.899 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 69.54 168.04 0.29 Allowed 'General case' 0 C--O 1.234 0.289 0 O-C-N 124.395 0.703 . . . . 6.59 110.397 -174.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.457 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 22.5 pttm -108.84 133.39 20.69 Favored Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 109.955 -0.387 . . . . 10.72 109.955 177.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 81' ' ' LYS . 8.5 Cg_endo . . . . . 0 C--O 1.25 1.089 0 C-N-CA 123.325 2.683 . . . . 11.77 111.86 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.596 ' HA3' ' O ' ' A' ' 60' ' ' LEU . . . . . . . . 0 N--CA 1.484 1.897 0 N-CA-C 112.115 -0.394 . . . . 1.67 112.115 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -63.95 145.55 90.21 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 123.024 2.483 . . . . 0.95 113.113 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -90.43 120.93 31.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.432 -0.804 . . . . 1.13 110.762 -176.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.5 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 26.2 m-70 -118.29 127.45 53.73 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.504 -0.554 . . . . 0.55 109.504 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.591 ' HG2' ' HB2' ' A' ' 57' ' ' SER . 59.2 mtt180 -77.83 150.49 34.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.017 0.437 . . . . 2.51 111.75 176.098 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.415 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . . . -158.34 150.01 21.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.55 -0.75 . . . . 0.41 110.864 177.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.3 m -115.55 150.59 17.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.232 -0.44 . . . . 0.24 110.387 175.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.524 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -174.67 -175.56 42.29 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.307 -0.949 . . . . 0.28 112.379 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.4 ttp85 -115.36 130.76 56.99 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.98 -0.748 . . . . 3.19 108.98 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.702 HD11 HG21 ' A' ' 54' ' ' VAL . 49.1 mm -64.05 126.91 23.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 116.164 -0.471 . . . . 0.23 110.957 -176.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 47.6 tp60 -89.02 -53.08 4.75 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.716 -0.675 . . . . 1.13 109.571 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.0 m -160.67 147.82 15.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.271 -0.422 . . . . 0.75 110.3 176.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.753 HD11 ' HA ' ' A' ' 49' ' ' LYS . 80.4 mt -97.11 131.71 43.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.064 0.459 . . . . 0.77 110.676 178.065 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -96.3 -149.63 25.85 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.55 -0.75 . . . . 1.06 111.631 177.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.639 ' HG2' ' HG3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -107.12 -39.24 5.77 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.198 0.523 . . . . 2.51 109.949 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.639 ' HG3' ' HG2' ' A' ' 15' ' ' GLU . 98.8 mtt180 -121.49 -2.45 9.46 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 115.53 -0.759 . . . . 3.93 110.19 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.409 ' OG ' ' HG2' ' A' ' 36' ' ' GLU . 3.5 t -155.29 -177.78 6.79 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 108.038 -1.097 . . . . 0.94 108.038 -175.277 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.439 ' HB3' ' HA ' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -165.28 145.99 7.19 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 120.849 0.357 . . . . 1.03 110.608 176.318 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.654 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 16.3 mt -93.32 127.59 45.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.822 -0.626 . . . . 0.56 109.745 -176.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.4 mt -126.72 121.8 59.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.021 -0.536 . . . . 0.21 110.381 -176.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.636 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -72.79 93.79 1.72 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.528 -0.545 . . . . 0.22 109.528 171.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.524 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 27.6 p80 -94.26 151.97 19.04 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.197 -0.456 . . . . 0.27 111.118 -176.001 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -71.12 -164.51 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.231 -0.895 . . . . 3.05 111.232 176.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.474 ' O ' ' HD3' ' A' ' 26' ' ' PRO . . . -70.66 116.44 10.98 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.467 -0.788 . . . . 1.5 110.375 176.394 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.559 ' HB ' ' HB2' ' A' ' 30' ' ' TRP . 58.6 mt -100.05 100.21 11.0 Favored Pre-proline 0 C--N 1.312 -1.064 0 CA-C-N 114.977 -1.01 . . . . 0.63 110.19 177.284 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.474 ' HD3' ' O ' ' A' ' 24' ' ' ALA . 9.7 Cg_exo -72.33 -11.32 26.62 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.762 2.308 . . . . 0.97 112.435 -178.134 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.5 ' CB ' ' HB3' ' A' ' 4' ' ' HIS . 1.4 m -76.21 -36.71 58.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.098 0.475 . . . . 1.1 110.876 -179.509 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -118.1 6.16 12.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.079 -0.51 . . . . 0.89 110.844 -178.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.1 mp0 62.84 28.44 16.41 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.542 -0.753 . . . . 2.21 111.28 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.559 ' HB2' ' HB ' ' A' ' 25' ' ' ILE . 45.2 m0 -85.11 109.01 17.95 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.22 -0.659 . . . . 1.02 109.22 178.275 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -90.36 69.64 2.28 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.898 -0.668 . . . . 1.67 113.033 -171.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 55.09 101.94 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.966 0.728 . . . . 0.57 112.966 174.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 19.6 ptt? -166.83 150.04 6.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.912 -0.585 . . . . 0.84 110.398 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.636 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 25.8 m -78.37 107.24 10.86 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.709 -0.678 . . . . 0.75 110.725 -177.144 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.6 mtp -129.01 162.78 26.84 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 116.137 -0.483 . . . . 1.6 111.477 -178.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.654 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 31.7 tt0 -96.66 147.67 23.65 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.251 -0.886 . . . . 1.0 110.531 -177.492 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.51 ' HB3' ' HB2' ' A' ' 68' ' ' LEU . 96.4 m-85 -131.45 114.5 15.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.384 -0.371 . . . . 0.37 110.432 -177.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.63 132.41 53.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.765 -0.652 . . . . 0.34 111.372 -177.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.72 145.95 95.26 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.149 -0.478 . . . . 0.6 111.585 -176.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -64.21 152.62 80.47 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.376 2.051 . . . . 1.1 111.005 173.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.57 -14.09 24.32 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.201 2.601 . . . . 2.05 112.924 -177.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.99 -29.58 60.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.315 -0.402 . . . . 1.33 111.122 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.6 179.77 20.42 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.969 -0.634 . . . . 0.93 112.105 -179.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.408 HD22 ' N ' ' A' ' 44' ' ' LEU . 2.5 mm? -105.8 142.31 24.52 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-O 120.842 0.353 . . . . 0.97 111.325 -178.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.681 ' HD2' HD21 ' A' ' 48' ' ' LEU . 88.3 Cg_endo -87.18 -172.14 0.86 Allowed 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 123.287 2.658 . . . . 0.69 111.425 170.41 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -111.0 148.79 31.79 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.111 -0.495 . . . . 2.12 109.927 175.224 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.84 10.88 11.82 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 111.42 -0.672 . . . . 0.63 111.42 -177.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.681 HD21 ' HD2' ' A' ' 45' ' ' PRO . 0.5 OUTLIER -129.65 47.97 2.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.097 0.475 . . . . 1.06 110.342 -178.833 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.753 ' HA ' HD11 ' A' ' 13' ' ' ILE . 6.8 ptpp? -95.36 170.73 9.17 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.162 -0.472 . . . . 3.0 110.648 -170.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.41 112.97 0.83 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.89 -0.596 . . . . 0.37 111.077 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 106.49 -3.08 36.89 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.658 -0.782 . . . . 0.38 112.541 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.59 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 6.5 m-20 -88.94 153.52 20.97 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 121.039 0.447 . . . . 0.53 110.479 175.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.4 ' HD2' HH11 ' A' ' 53' ' ' ARG . 2.7 tpp180 -105.86 121.63 44.45 Favored 'General case' 0 N--CA 1.437 -1.125 0 N-CA-C 108.421 -0.955 . . . . 3.26 108.421 172.59 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.702 HG21 HD11 ' A' ' 10' ' ' ILE . 16.5 m -125.91 151.6 32.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-O 121.075 0.464 . . . . 0.3 111.221 -177.252 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.72 118.08 35.59 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.443 -0.947 . . . . 0.16 108.443 175.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.669 ' HB3' HG23 ' A' ' 71' ' ' VAL . 46.1 p90 -133.23 174.58 10.23 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.405 0.621 . . . . 0.36 112.357 -170.019 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.591 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 5.5 t -143.09 139.77 30.6 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.344 -0.844 . . . . 1.08 108.888 173.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.51 ' HD2' HD23 ' A' ' 60' ' ' LEU . 36.4 p90 -135.46 150.84 49.93 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.093 -0.503 . . . . 0.41 110.402 -174.186 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.7 ' HG3' HG21 ' A' ' 69' ' ' VAL . 42.6 mtm-85 -103.9 133.96 48.0 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.801 0.334 . . . . 3.07 110.383 178.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.625 HD22 ' HA ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -109.72 130.14 55.54 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 115.694 -0.684 . . . . 1.04 110.721 179.802 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.423 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 16.0 m-20 -99.11 165.57 14.63 Favored Pre-proline 0 C--N 1.317 -0.821 0 CA-C-N 116.031 -0.531 . . . . 1.87 109.686 174.22 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.413 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 16.7 Cg_exo -68.43 -7.14 19.38 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 123.161 2.574 . . . . 1.62 111.534 -176.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -85.95 -12.48 50.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.385 -0.825 . . . . 2.43 110.463 177.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.35 18.17 39.99 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.75 -0.94 . . . . 1.08 110.75 -175.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.423 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 77.5 mtp -74.91 118.26 17.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.267 -0.466 . . . . 2.74 109.791 -179.568 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.625 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -105.48 98.81 8.45 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.399 -0.593 . . . . 0.54 109.399 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.57 121.28 44.74 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.636 -0.711 . . . . 0.71 110.957 -172.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.51 ' HB2' ' HB3' ' A' ' 37' ' ' PHE . 41.5 tp -74.01 131.53 41.48 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.734 -0.469 . . . . 1.18 109.734 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.7 HG21 ' HG3' ' A' ' 59' ' ' ARG . 24.7 t -103.01 -55.18 6.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.024 0.44 . . . . 1.01 110.831 -177.439 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.7 p -143.13 146.24 33.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.616 -0.72 . . . . 0.42 110.265 -179.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.669 HG23 ' HB3' ' A' ' 56' ' ' PHE . 12.4 p -144.29 132.37 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.941 0.4 . . . . 0.32 110.203 175.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -119.68 140.1 28.95 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 116.28 -0.418 . . . . 0.29 110.327 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.83 115.45 3.26 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.504 2.136 . . . . 0.81 111.779 178.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.542 ' HG3' ' N ' ' A' ' 75' ' ' VAL . 1.8 pt20 -112.86 177.9 4.47 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.788 -0.642 . . . . 1.08 109.732 -177.41 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.542 ' N ' ' HG3' ' A' ' 74' ' ' GLN . 3.7 p -155.78 88.18 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-O 121.574 0.702 . . . . 1.64 110.704 -178.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 76' ' ' GLN . 23.3 tp60 60.02 37.63 21.12 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.418 -0.81 . . . . 2.57 110.649 175.657 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.4 m 55.18 75.94 0.29 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.648 0.737 . . . . 3.72 110.762 -177.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -95.8 117.22 30.15 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.366 -0.834 . . . . 3.65 110.949 -178.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.03 -130.63 5.93 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.468 -0.653 . . . . 5.36 111.468 176.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -140.65 101.66 4.14 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.86 0.362 . . . . 6.59 110.129 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.461 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 34.0 ttpt -108.63 128.52 25.41 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 116.381 -0.372 . . . . 10.72 110.422 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 81' ' ' LYS . 5.9 Cg_exo . . . . . 0 C--O 1.25 1.08 0 C-N-CA 122.802 2.335 . . . . 11.77 111.652 176.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.545 0 N-CA-C 112.028 -0.429 . . . . 1.67 112.028 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.25 158.77 33.43 Favored 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 122.912 2.408 . . . . 0.95 113.234 -176.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -96.33 139.91 31.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.279 -0.873 . . . . 1.13 109.366 176.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -126.4 141.34 51.93 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.114 -0.328 . . . . 0.55 110.114 -177.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.463 ' HD3' ' HA ' ' A' ' 5' ' ' ARG . 2.5 mmt180 -85.01 128.91 34.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.121 -0.491 . . . . 2.51 110.61 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -137.73 128.23 26.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.073 0.463 . . . . 0.41 111.72 -173.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.714 HG11 ' HB2' ' A' ' 82' ' ' PRO . 27.4 m -110.43 151.75 12.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.092 -0.504 . . . . 0.24 110.473 174.322 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.608 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -179.06 -162.63 28.73 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.52 -0.847 . . . . 0.28 112.425 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.5 ttp-105 -125.28 133.71 52.55 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.446 -0.575 . . . . 3.19 109.446 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.617 HD11 HG21 ' A' ' 54' ' ' VAL . 41.8 mm -64.98 123.91 18.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.803 0.335 . . . . 0.23 110.412 -177.242 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -88.21 -53.92 4.46 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.844 -0.616 . . . . 1.13 109.456 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.7 m -159.82 158.73 31.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.767 -0.651 . . . . 0.75 109.249 175.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.864 HD11 ' HA ' ' A' ' 49' ' ' LYS . 69.2 mt -110.95 144.09 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.401 0.62 . . . . 0.77 111.833 -175.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.71 ' H ' ' HB3' ' A' ' 18' ' ' LEU . . . -131.99 160.37 23.57 Favored Glycine 0 N--CA 1.44 -1.05 0 N-CA-C 110.427 -1.069 . . . . 1.06 110.427 171.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -60.74 -42.88 98.23 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 111.833 0.308 . . . . 2.51 111.833 -176.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.84 -4.63 8.6 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.457 -0.497 . . . . 3.93 112.086 -175.552 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.41 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 10.5 p -157.71 146.26 19.27 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.727 -0.472 . . . . 0.94 109.727 172.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.71 ' HB3' ' H ' ' A' ' 14' ' ' GLY . 1.1 pp -145.41 152.01 39.16 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-O 120.954 0.407 . . . . 1.03 111.207 -178.24 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.568 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 9.4 mt -98.06 129.54 48.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.689 -0.687 . . . . 0.56 110.289 -174.602 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 82.1 mt -127.61 123.14 60.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.01 -0.541 . . . . 0.21 110.29 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.54 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -71.73 90.9 1.09 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.042 -0.725 . . . . 0.22 109.042 171.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.608 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 28.6 p80 -93.29 150.32 20.57 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.021 -0.536 . . . . 0.27 110.242 -177.289 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.442 ' O ' HG13 ' A' ' 25' ' ' ILE . 58.8 mt-10 -79.1 -160.34 0.23 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.774 -0.648 . . . . 3.05 110.614 178.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.461 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -54.12 -46.28 72.14 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.933 0.716 . . . . 1.5 112.933 -173.151 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 23' ' ' GLU . 44.0 mt 70.17 88.63 0.1 OUTLIER Pre-proline 0 C--N 1.317 -0.812 0 CA-C-O 121.026 0.441 . . . . 0.63 110.492 -176.155 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.49 -31.15 71.87 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.481 2.12 . . . . 0.97 111.774 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 m -68.48 -18.53 64.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.754 -0.657 . . . . 1.1 111.997 -176.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.01 -6.33 10.49 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.011 -0.276 . . . . 0.89 111.525 -177.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 63.01 35.69 12.98 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.998 -0.546 . . . . 2.21 110.709 -178.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.452 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 45.2 m0 -90.76 173.85 7.79 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.647 -0.501 . . . . 1.02 109.647 178.199 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.99 44.5 1.23 Allowed Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.187 -1.006 . . . . 1.67 113.879 -177.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.461 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 66.13 120.78 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.165 0.802 . . . . 0.57 113.165 174.064 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 14.6 ptt? -171.66 145.27 1.97 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.046 -0.525 . . . . 0.84 110.931 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.54 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 13.8 m -75.33 106.48 6.89 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.042 -0.526 . . . . 0.75 110.175 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 85.3 mtp -125.95 165.03 19.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.202 0.525 . . . . 1.6 112.18 -176.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.568 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 88.1 tt0 -104.59 138.58 40.72 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.962 -1.017 . . . . 1.0 110.252 -178.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -119.33 136.47 54.24 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.357 -0.383 . . . . 0.37 110.107 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.29 135.74 36.83 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.229 -0.441 . . . . 0.34 110.21 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.43 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . . . -95.13 143.41 26.06 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.331 -0.395 . . . . 0.6 110.589 -178.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 39' ' ' ALA . 24.2 Cg_exo -63.73 152.58 79.87 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.621 2.214 . . . . 1.1 110.808 173.249 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -62.98 -1.03 2.45 Favored 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 123.062 2.508 . . . . 2.05 113.399 -177.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.38 -21.59 38.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.928 0.394 . . . . 1.33 110.595 176.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.84 171.65 37.32 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 121.035 -0.603 . . . . 0.93 112.504 178.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.535 ' HG ' HD21 ' A' ' 18' ' ' LEU . 2.8 mm? -92.79 145.62 30.62 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-O 121.018 0.437 . . . . 0.97 111.379 -176.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.591 ' HD2' HD21 ' A' ' 48' ' ' LEU . 45.0 Cg_endo -74.91 -166.6 0.35 Allowed 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.866 2.378 . . . . 0.69 112.245 174.595 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 -102.36 154.28 19.22 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.712 -0.676 . . . . 2.12 109.683 178.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.99 9.68 48.09 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.564 -0.827 . . . . 0.63 113.195 176.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.63 HD23 HG11 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -124.96 50.82 1.71 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.726 0.298 . . . . 1.06 111.762 -177.68 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.864 ' HA ' HD11 ' A' ' 13' ' ' ILE . 71.1 mmtt -94.21 158.79 15.43 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.337 -0.246 . . . . 3.0 110.337 -175.349 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.25 110.2 0.25 Allowed 'General case' 0 C--O 1.232 0.175 0 O-C-N 123.465 0.478 . . . . 0.37 111.044 177.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.76 -18.59 12.82 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.762 -0.732 . . . . 0.38 112.876 -178.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -81.24 158.58 24.79 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.424 0.63 . . . . 0.53 111.508 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -110.47 120.81 43.62 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.237 -0.892 . . . . 3.26 108.746 174.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.617 HG21 HD11 ' A' ' 10' ' ' ILE . 15.7 m -129.58 156.86 42.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.806 0.336 . . . . 0.3 110.79 -175.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.545 ' HB2' ' HG3' ' A' ' 74' ' ' GLN . . . -112.24 112.17 23.57 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.23 -0.655 . . . . 0.16 109.23 176.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.46 ' HB3' HG23 ' A' ' 71' ' ' VAL . 10.9 p90 -125.7 174.05 8.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.808 0.813 . . . . 0.36 112.147 -173.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.1 p -128.65 145.49 51.14 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 114.724 -1.125 . . . . 1.08 108.671 173.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -131.57 141.4 49.68 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.082 0.468 . . . . 0.41 110.238 177.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -110.78 134.26 52.65 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.854 -0.612 . . . . 3.07 109.453 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.98 118.79 29.8 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.987 0.422 . . . . 1.04 109.882 178.139 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.49 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 15.0 m-20 -89.74 167.48 17.25 Favored Pre-proline 0 C--N 1.314 -0.935 0 CA-C-N 115.795 -0.639 . . . . 1.87 109.279 178.166 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.49 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 20.4 Cg_exo -65.5 1.78 1.94 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.379 2.719 . . . . 1.62 113.172 -171.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -94.54 -18.98 20.92 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.266 0.555 . . . . 2.43 110.002 177.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.19 15.66 47.07 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 110.872 -0.891 . . . . 1.08 110.872 -177.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.4 mmt -88.26 152.96 21.59 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.173 -0.514 . . . . 2.74 110.096 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -107.19 97.75 7.48 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.85 -0.796 . . . . 0.54 108.85 -177.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.3 m -97.15 122.6 40.34 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.36 -0.836 . . . . 0.71 110.717 -173.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.454 HD21 ' HB2' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -70.33 128.0 34.72 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.619 -0.719 . . . . 1.18 109.559 -177.767 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.0 t -100.26 -66.14 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.056 0.455 . . . . 1.01 111.023 -173.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.3 p -138.07 143.15 40.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.924 -0.58 . . . . 0.42 109.715 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.63 HG11 HD23 ' A' ' 48' ' ' LEU . 13.1 p -133.51 123.26 45.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.371 0.605 . . . . 0.32 110.136 178.577 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.99 137.67 20.56 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-N 115.907 -0.588 . . . . 0.29 110.033 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -52.4 106.27 0.14 Allowed 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.775 2.317 . . . . 0.81 112.823 176.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.545 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 1.1 tt0 -86.9 174.51 8.69 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 115.393 -0.822 . . . . 1.08 110.106 176.5 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.3 p -160.05 79.94 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -1.025 0 CA-C-N 115.07 -0.968 . . . . 1.64 110.014 172.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 71.5 -97.73 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 114.328 -1.305 . . . . 2.57 112.628 171.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.6 t -101.48 -12.56 18.44 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 115.313 -0.858 . . . . 3.72 111.163 -176.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 57.46 -150.97 0.43 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.47 -0.786 . . . . 3.65 110.091 -175.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.62 -36.78 58.33 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.355 -0.926 . . . . 5.36 111.451 174.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -173.76 -51.41 0.01 OUTLIER 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.203 0.525 . . . . 6.59 109.695 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 5.4 tppp? -108.61 121.15 44.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.741 -0.663 . . . . 10.72 110.55 178.199 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.714 ' HB2' HG11 ' A' ' 7' ' ' VAL . 5.1 Cg_exo . . . . . 0 C--O 1.252 1.218 0 C-N-CA 123.039 2.493 . . . . 11.77 111.297 172.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.64 0 N-CA-C 111.995 -0.442 . . . . 1.67 111.995 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -63.79 125.45 15.44 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.838 2.359 . . . . 0.95 112.041 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -101.56 125.13 48.16 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.287 -0.869 . . . . 1.13 110.228 -176.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -129.28 139.35 51.83 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.557 -0.905 . . . . 0.55 108.557 178.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.748 ' HA ' ' HA ' ' A' ' 57' ' ' SER . 17.7 ptp180 -99.72 160.64 14.15 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.272 -0.571 . . . . 2.51 110.645 178.588 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -159.69 148.99 18.01 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.36 -0.836 . . . . 0.41 110.39 -178.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.8 m -106.76 141.27 22.38 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 115.78 -0.645 . . . . 0.24 109.823 172.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.601 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -163.28 176.34 39.48 Favored Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.117 -1.04 . . . . 0.28 112.576 -177.67 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 52' ' ' ASP . 59.3 ttt180 -110.97 127.5 55.53 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.726 -0.472 . . . . 3.19 109.726 -178.484 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.427 HD11 HG21 ' A' ' 54' ' ' VAL . 43.0 mm -63.1 129.83 27.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.911 -0.586 . . . . 0.23 110.72 -177.584 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.431 ' HG2' HG21 ' A' ' 34' ' ' THR . 4.4 tp60 -92.08 -51.19 5.31 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 109.164 -0.68 . . . . 1.13 109.164 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.7 m -160.0 153.08 21.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.763 -0.653 . . . . 0.75 110.052 175.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.894 HD11 ' HA ' ' A' ' 49' ' ' LYS . 76.4 mt -100.63 144.89 12.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 123.3 0.375 . . . . 0.77 110.458 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.432 ' HA3' ' O ' ' A' ' 17' ' ' SER . . . -121.91 -157.35 9.98 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 121.023 -0.608 . . . . 1.06 112.364 178.365 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.831 ' HG3' ' HG2' ' A' ' 16' ' ' ARG . 8.7 pt-20 -89.73 -39.88 12.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.627 0.727 . . . . 2.51 110.45 -175.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.831 ' HG2' ' HG3' ' A' ' 15' ' ' GLU . 9.0 ptp180 -145.81 7.67 1.09 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.689 -1.141 . . . . 3.93 109.271 -177.26 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.432 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 2.4 p -155.68 146.85 22.53 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 114.766 -1.106 . . . . 0.94 108.942 -177.074 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.405 ' HB3' ' HA ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -150.83 152.44 33.75 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-O 121.098 0.475 . . . . 1.03 110.607 179.732 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.834 HG22 HG22 ' A' ' 34' ' ' THR . 6.7 mt -100.92 130.23 50.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.516 -0.766 . . . . 0.56 109.833 -172.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 69.4 mt -129.7 125.12 60.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.944 0.402 . . . . 0.21 111.309 -176.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.653 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -79.22 90.72 4.93 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.319 -0.623 . . . . 0.22 109.319 171.032 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.601 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 26.7 p80 -85.1 155.89 21.3 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.214 -0.448 . . . . 0.27 110.474 -178.141 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -70.45 -171.2 0.46 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.696 -0.684 . . . . 3.05 110.577 174.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.622 ' O ' ' HD3' ' A' ' 26' ' ' PRO . . . -69.03 117.77 11.09 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.547 -0.751 . . . . 1.5 109.057 172.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.426 ' HB ' ' HB2' ' A' ' 30' ' ' TRP . 41.9 mt -95.52 102.62 10.36 Favored Pre-proline 0 C--N 1.315 -0.931 0 CA-C-N 115.65 -0.705 . . . . 0.63 110.565 -176.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.622 ' HD3' ' O ' ' A' ' 24' ' ' ALA . 35.8 Cg_exo -63.18 -36.37 58.19 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.469 2.113 . . . . 0.97 111.423 178.258 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.1 m -58.7 -31.54 68.33 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.846 -0.615 . . . . 1.1 111.97 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -114.81 3.07 14.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.699 0.285 . . . . 0.89 111.17 -178.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 57.47 28.56 15.66 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.829 -0.623 . . . . 2.21 111.27 -175.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.426 ' HB2' ' HB ' ' A' ' 25' ' ' ILE . 36.2 m0 -90.34 156.42 18.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.122 0.487 . . . . 1.02 111.002 179.559 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -92.85 -174.97 41.25 Favored Glycine 0 N--CA 1.438 -1.229 0 C-N-CA 120.521 -0.847 . . . . 1.67 111.37 172.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.25 116.48 21.15 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 110.013 -0.366 . . . . 0.57 110.013 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 5.3 ptt? -164.35 158.5 18.72 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.073 -0.512 . . . . 0.84 110.696 -177.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.834 HG22 HG22 ' A' ' 19' ' ' ILE . 16.7 m -88.44 103.34 15.76 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.5 -0.773 . . . . 0.75 110.778 -176.098 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.3 tpp -108.55 149.73 28.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.679 -0.691 . . . . 1.6 111.022 -176.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -88.88 128.44 35.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.116 177.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -117.76 136.43 53.39 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.334 -0.393 . . . . 0.37 110.076 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -93.76 140.25 29.87 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.257 -0.429 . . . . 0.34 110.023 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.404 ' HB2' HD11 ' A' ' 44' ' ' LEU . . . -94.05 150.99 39.33 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 123.196 0.31 . . . . 0.6 110.99 -178.11 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.481 ' HD3' ' O ' ' A' ' 68' ' ' LEU . 33.1 Cg_endo -65.12 159.33 47.31 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.488 2.125 . . . . 1.1 111.231 175.065 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 40' ' ' PRO . 35.5 Cg_exo -57.84 -15.0 19.85 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.992 2.461 . . . . 2.05 112.456 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.29 -41.25 96.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.917 -0.583 . . . . 1.33 111.241 177.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.81 167.47 21.63 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.8 -0.714 . . . . 0.93 112.279 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.404 HD11 ' HB2' ' A' ' 39' ' ' ALA . 3.2 mm? -88.4 141.62 30.75 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 121.137 0.494 . . . . 0.97 112.091 -174.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.494 ' HD2' HD21 ' A' ' 48' ' ' LEU . 54.7 Cg_endo -82.52 -166.08 0.37 Allowed 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 123.327 2.685 . . . . 0.69 111.753 171.271 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.41 ' H ' ' CD ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -111.39 164.26 13.12 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.33 -0.85 . . . . 2.12 109.893 178.711 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.03 21.99 34.17 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.173 -0.537 . . . . 0.63 112.036 -178.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.678 HD23 HG11 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -136.94 49.48 2.04 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.718 0.294 . . . . 1.06 111.774 -178.904 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.894 ' HA ' HD11 ' A' ' 13' ' ' ILE . 9.7 ptpp? -94.79 161.69 14.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.191 -0.318 . . . . 3.0 110.525 -172.502 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.3 106.2 0.08 Allowed 'General case' 0 C--O 1.235 0.334 0 O-C-N 123.625 0.578 . . . . 0.37 111.303 177.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.76 -26.27 5.69 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.831 -0.699 . . . . 0.38 112.551 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.462 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 24.9 m-20 -70.39 148.23 48.62 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 120.952 0.406 . . . . 0.53 110.788 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.429 ' HD3' ' HA ' ' A' ' 76' ' ' GLN . 27.1 ttt180 -112.12 95.86 5.7 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.307 -0.997 . . . . 3.26 108.307 174.558 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.558 HG12 ' HA ' ' A' ' 73' ' ' PRO . 10.5 m -102.58 150.28 6.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.068 -0.515 . . . . 0.3 111.062 -169.345 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.96 120.82 38.02 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.778 -0.647 . . . . 0.16 109.258 173.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.844 ' HB3' HG23 ' A' ' 71' ' ' VAL . 37.3 p90 -139.75 167.45 22.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.28 0.562 . . . . 0.36 112.046 -173.005 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.748 ' HA ' ' HA ' ' A' ' 5' ' ' ARG . 35.5 p -132.55 139.12 47.72 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.519 -0.764 . . . . 1.08 109.51 175.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -134.11 161.48 34.74 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.895 0.378 . . . . 0.41 110.546 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.491 ' HG3' HG21 ' A' ' 69' ' ' VAL . 83.6 mtt180 -116.57 139.33 50.62 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.245 -0.434 . . . . 3.07 110.417 177.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.4 mt -100.15 141.49 32.9 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.722 -0.672 . . . . 1.04 110.762 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.533 ' OD2' ' HB2' ' A' ' 65' ' ' MET . 4.2 p30 -102.18 164.4 15.83 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 115.93 -0.577 . . . . 1.87 109.763 172.42 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.98 -0.96 3.68 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.984 2.456 . . . . 1.62 113.216 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -95.96 -19.23 19.66 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.72 -0.844 . . . . 2.43 108.72 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.26 23.71 10.21 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 114.457 -1.247 . . . . 1.08 111.911 176.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.533 ' HB2' ' OD2' ' A' ' 61' ' ' ASP . 31.6 mtp -100.24 152.55 20.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.153 0.501 . . . . 2.74 110.037 -179.394 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.03 109.53 18.21 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.441 -0.799 . . . . 0.54 110.226 -172.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.17 120.28 41.9 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 116.052 -0.522 . . . . 0.71 110.558 -177.13 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.492 HD11 ' HB2' ' A' ' 56' ' ' PHE . 42.4 tp -71.63 134.65 46.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.792 -0.64 . . . . 1.18 110.347 -177.042 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.491 HG21 ' HG3' ' A' ' 59' ' ' ARG . 21.8 t -103.49 -56.93 4.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.342 -0.39 . . . . 1.01 110.477 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.5 p -143.0 142.6 31.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 0.42 110.567 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.844 HG23 ' HB3' ' A' ' 56' ' ' PHE . 8.7 p -132.59 142.27 42.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.374 -0.602 . . . . 0.32 109.374 176.547 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -130.97 139.52 35.85 Favored Pre-proline 0 C--N 1.316 -0.886 0 N-CA-C 109.856 -0.424 . . . . 0.29 109.856 176.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.558 ' HA ' HG12 ' A' ' 54' ' ' VAL . 26.2 Cg_endo -64.17 104.63 0.51 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.024 1.816 . . . . 0.81 112.145 -179.378 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.518 ' H ' ' HA ' ' A' ' 54' ' ' VAL . 11.8 tt0 -93.82 170.05 9.85 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 108.746 -0.835 . . . . 1.08 108.746 175.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.569 ' O ' ' HG3' ' A' ' 76' ' ' GLN . 2.4 p -132.45 80.06 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 CA-C-O 121.824 0.821 . . . . 1.64 110.673 -177.406 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.569 ' HG3' ' O ' ' A' ' 75' ' ' VAL . 5.1 pp0? 60.76 -27.83 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.529 1.932 . . . . 2.57 115.629 173.189 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.4 t -143.87 -2.34 0.93 Allowed 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 120.972 0.415 . . . . 3.72 110.266 175.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 72.85 148.96 0.09 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.116 -0.947 . . . . 3.65 111.333 -177.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.81 -143.87 16.96 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.692 -0.766 . . . . 5.36 111.477 -178.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 58.88 -162.57 0.23 Allowed 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 122.478 0.311 . . . . 6.59 111.097 178.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.449 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 68.5 mttm -110.11 135.5 20.53 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 110.229 -0.286 . . . . 10.72 110.229 174.504 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 81' ' ' LYS . 26.5 Cg_exo . . . . . 0 C--O 1.248 1.001 0 C-N-CA 123.039 2.493 . . . . 11.77 111.701 176.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.42 ' HA2' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.479 1.532 0 N-CA-C 111.749 -0.541 . . . . 1.67 111.749 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.42 ' HD2' ' HA2' ' A' ' 1' ' ' GLY . 33.8 Cg_endo -63.07 137.67 63.18 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.673 2.249 . . . . 0.95 112.287 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -90.79 132.78 35.66 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.788 -0.642 . . . . 1.13 110.158 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.431 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 87.9 m-70 -126.1 147.11 49.67 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.681 -0.489 . . . . 0.55 109.681 178.071 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.578 HH11 ' HB3' ' A' ' 57' ' ' SER . 26.1 mmt180 -81.05 141.31 34.48 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.764 -0.458 . . . . 2.51 109.764 177.735 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.435 ' HB2' ' HE2' ' A' ' 58' ' ' PHE . . . -144.14 137.46 27.49 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 120.918 0.39 . . . . 0.41 111.149 179.399 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.0 m -119.0 151.02 21.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.265 -0.425 . . . . 0.24 110.142 173.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.599 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 174.01 -168.05 40.73 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.673 -0.775 . . . . 0.28 112.418 178.563 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 9' ' ' ARG . 13.8 ttp180 -115.91 137.4 52.14 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.645 -0.502 . . . . 3.19 109.645 -178.29 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.62 HD11 HG21 ' A' ' 54' ' ' VAL . 37.2 mm -68.0 124.69 24.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 116.307 -0.406 . . . . 0.23 110.241 179.269 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -85.25 -49.43 8.19 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.858 -0.61 . . . . 1.13 109.492 178.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.2 m -159.5 160.7 34.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.567 -0.742 . . . . 0.75 110.347 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.573 HD11 ' HA ' ' A' ' 49' ' ' LYS . 61.0 mt -107.95 130.79 59.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.474 -0.565 . . . . 0.77 109.474 173.557 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.74 -164.4 24.24 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 121.14 -0.552 . . . . 1.06 112.515 -177.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -83.13 -37.93 23.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.923 0.392 . . . . 2.51 111.151 -175.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -134.87 11.9 3.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.383 0.611 . . . . 3.93 110.504 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.604 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 3.6 p -158.09 172.94 17.51 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.242 -0.89 . . . . 0.94 109.007 -177.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.56 HD22 HG23 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -136.61 136.06 38.87 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.92 -0.77 . . . . 1.03 108.92 170.304 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.551 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 31.4 mt -84.98 122.18 37.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 N-CA-C 109.071 -0.714 . . . . 0.56 109.071 177.103 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 60.1 mt -123.34 121.19 62.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.087 -0.506 . . . . 0.21 110.786 -174.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.446 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -73.52 91.8 1.84 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.351 -0.611 . . . . 0.22 109.351 170.697 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.599 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 23.1 p80 -89.9 157.5 17.85 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.079 -0.509 . . . . 0.27 110.705 -176.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.426 ' O ' HG12 ' A' ' 25' ' ' ILE . 12.8 mm-40 -61.88 -169.81 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.296 -0.866 . . . . 3.05 111.559 174.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.585 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -55.63 -48.16 75.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 1.5 111.343 -178.213 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.53 ' HB ' ' HB2' ' A' ' 30' ' ' TRP . 41.7 mm 76.9 86.74 0.08 OUTLIER Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 123.782 0.676 . . . . 0.63 110.599 -178.627 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -75.58 -18.96 17.11 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 122.588 2.192 . . . . 0.97 111.873 178.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.431 ' HB2' ' HB3' ' A' ' 4' ' ' HIS . 9.0 p -71.94 -22.93 61.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.856 -0.611 . . . . 1.1 111.266 -178.137 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.16 4.72 9.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.565 -0.289 . . . . 0.89 111.196 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.6 mp0 55.77 49.72 15.63 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.976 -0.557 . . . . 2.21 111.374 -177.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.53 ' HB2' ' HB ' ' A' ' 25' ' ' ILE . 45.1 m0 -100.06 172.13 7.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.684 -0.689 . . . . 1.02 109.309 174.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.29 46.8 1.06 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.261 -0.971 . . . . 1.67 112.942 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.585 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 65.17 120.15 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.209 0.528 . . . . 0.57 112.307 175.306 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 19.1 ptt? -170.78 155.88 4.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.062 -0.517 . . . . 0.84 110.835 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.454 HG22 HG22 ' A' ' 19' ' ' ILE . 19.1 m -88.06 104.77 16.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.732 -0.667 . . . . 0.75 110.0 -177.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 73.6 mtp -115.83 164.2 14.73 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.69 -0.686 . . . . 1.6 111.944 -175.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.551 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 44.8 tt0 -102.75 122.75 45.11 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.066 -0.97 . . . . 1.0 109.872 178.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -105.27 121.24 43.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.302 -0.408 . . . . 0.37 110.301 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.604 ' HA ' ' HB3' ' A' ' 17' ' ' SER . . . -70.69 142.73 51.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.81 -0.632 . . . . 0.34 110.577 -176.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.91 139.97 97.95 Favored Pre-proline 0 C--O 1.235 0.309 0 CA-C-N 116.275 -0.42 . . . . 0.6 111.552 -178.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.453 ' HD2' HD13 ' A' ' 44' ' ' LEU . 36.3 Cg_endo -67.47 160.09 49.48 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.501 2.134 . . . . 1.1 111.469 174.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.93 -3.62 8.62 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.777 2.318 . . . . 2.05 112.976 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -105.41 3.37 29.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.506 -0.315 . . . . 1.33 111.153 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.46 169.59 45.81 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.645 -0.788 . . . . 0.93 112.238 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.558 ' HG ' HD21 ' A' ' 18' ' ' LEU . 2.7 mm? -86.5 141.61 34.47 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-O 120.991 0.424 . . . . 0.97 111.033 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.427 ' HD2' HD21 ' A' ' 48' ' ' LEU . 44.1 Cg_endo -80.64 -169.15 0.73 Allowed 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 123.063 2.508 . . . . 0.69 111.435 169.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.412 ' CD ' ' H ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -111.47 148.96 32.01 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.605 -0.725 . . . . 2.12 110.464 -177.877 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.08 21.43 10.96 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.943 -0.572 . . . . 0.63 112.275 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.692 HD23 HG11 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -127.61 49.41 2.13 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.767 0.318 . . . . 1.06 111.814 -177.854 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.573 ' HA ' HD11 ' A' ' 13' ' ' ILE . 66.7 mttt -95.29 161.52 14.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.977 0.418 . . . . 3.0 111.738 -177.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.97 110.47 0.36 Allowed 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 115.42 -0.809 . . . . 0.37 110.872 175.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.51 -14.34 20.43 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.53 -0.843 . . . . 0.38 112.708 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -84.61 148.2 26.58 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 117.16 0.48 . . . . 0.53 110.4 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.534 ' HD2' ' HB3' ' A' ' 76' ' ' GLN . 22.5 ttm105 -103.45 121.85 43.68 Favored 'General case' 0 N--CA 1.439 -1.017 0 N-CA-C 108.79 -0.819 . . . . 3.26 108.79 173.276 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.62 HG21 HD11 ' A' ' 10' ' ' ILE . 16.3 m -126.9 154.18 36.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.101 0.477 . . . . 0.3 111.613 -173.483 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.72 115.87 30.66 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.771 -0.825 . . . . 0.16 108.771 175.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.789 ' HB3' HG23 ' A' ' 71' ' ' VAL . 11.2 p90 -134.93 -177.94 4.86 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.419 0.526 . . . . 0.36 112.419 -168.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.578 ' HB3' HH11 ' A' ' 5' ' ' ARG . 86.6 p -143.99 153.96 42.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.642 -0.708 . . . . 1.08 109.806 175.704 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.457 ' HA ' HG23 ' A' ' 69' ' ' VAL . 54.1 p90 -141.1 154.35 45.88 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.431 -0.349 . . . . 0.41 110.854 -178.747 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.505 ' HG3' ' CG2' ' A' ' 69' ' ' VAL . 47.5 mtm180 -106.05 138.15 42.73 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.393 -0.595 . . . . 3.07 109.393 172.196 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.445 HD11 ' CZ2' ' A' ' 30' ' ' TRP . 14.8 mt -108.33 122.48 47.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.942 0.401 . . . . 1.04 111.906 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.458 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 33.8 m-20 -83.95 166.78 31.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 108.731 -0.841 . . . . 1.87 108.731 172.009 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.458 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 16.3 Cg_exo -68.12 -8.94 24.24 Favored 'Trans proline' 0 N--CA 1.464 -0.213 0 C-N-CA 122.77 2.313 . . . . 1.62 112.493 -174.481 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -90.52 -11.16 41.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.143 -0.48 . . . . 2.43 110.825 179.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.22 24.68 21.43 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.818 -0.706 . . . . 1.08 111.467 -176.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.521 ' HA ' ' CE ' ' A' ' 65' ' ' MET . 8.6 mmt -84.54 131.42 34.63 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 109.637 -0.505 . . . . 2.74 109.637 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -113.9 103.86 11.59 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.727 -0.472 . . . . 0.54 109.727 -174.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.86 126.96 52.47 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 116.122 -0.49 . . . . 0.71 110.138 -176.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.411 ' HB3' ' HD3' ' A' ' 40' ' ' PRO . 36.5 tp -70.09 124.7 24.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.585 -0.734 . . . . 1.18 110.472 -176.19 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.505 ' CG2' ' HG3' ' A' ' 59' ' ' ARG . 22.0 t -96.45 -55.41 6.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.179 0.514 . . . . 1.01 110.332 -178.003 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.2 p -142.11 158.93 43.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.507 -0.77 . . . . 0.42 109.388 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.789 HG23 ' HB3' ' A' ' 56' ' ' PHE . 9.8 p -156.52 129.52 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.136 0.493 . . . . 0.32 110.155 176.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -125.94 130.71 23.93 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.18 -0.464 . . . . 0.29 110.229 178.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.572 ' HA ' HG12 ' A' ' 54' ' ' VAL . 50.4 Cg_exo -53.77 122.6 11.62 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.74 2.293 . . . . 0.81 111.635 176.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.779 ' HG3' ' H ' ' A' ' 76' ' ' GLN . 3.1 pt20 -112.86 176.54 4.97 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.418 -0.586 . . . . 1.08 109.418 -179.292 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.503 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 24.5 m -130.09 30.71 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 CA-C-N 115.948 -0.569 . . . . 1.64 111.024 -175.017 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.779 ' H ' ' HG3' ' A' ' 74' ' ' GLN . 9.4 pt20 54.81 152.88 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.634 1.174 . . . . 2.57 112.784 -172.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.8 m 51.8 27.32 4.1 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.267 -0.879 . . . . 3.72 111.887 174.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.8 -30.41 26.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.221 -0.445 . . . . 3.65 111.256 -176.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.14 -61.58 4.57 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.759 -0.734 . . . . 5.36 112.02 -178.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -162.05 176.88 10.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.748 0.309 . . . . 6.59 110.268 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -102.82 107.8 55.97 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.159 -0.473 . . . . 10.72 109.898 176.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo . . . . . 0 C--O 1.249 1.073 0 C-N-CA 123.047 2.498 . . . . 11.77 112.036 178.247 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.68 ' HA3' ' O ' ' A' ' 60' ' ' LEU . . . . . . . . 0 N--CA 1.483 1.829 0 N-CA-C 112.054 -0.418 . . . . 1.67 112.054 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.85 150.0 48.75 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.776 2.318 . . . . 0.95 112.569 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -85.43 133.85 34.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.975 -0.557 . . . . 1.13 110.802 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.43 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 59.5 m-70 -127.67 142.74 51.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.214 -1.032 . . . . 0.55 108.214 174.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.473 ' HG2' ' HB3' ' A' ' 57' ' ' SER . 51.2 mtt180 -95.14 147.62 23.25 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.677 -0.409 . . . . 2.51 110.94 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -152.92 145.93 24.57 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.895 -0.593 . . . . 0.41 111.139 -179.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.6 m -114.56 149.42 16.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 115.533 -0.758 . . . . 0.24 109.929 172.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.423 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -172.53 -178.7 42.84 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.091 -1.052 . . . . 0.28 112.776 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -112.28 130.41 55.95 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.69 -0.485 . . . . 3.19 109.69 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.52 HD11 HG21 ' A' ' 54' ' ' VAL . 31.5 mm -65.92 136.95 25.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.237 -0.438 . . . . 0.23 111.679 -175.332 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.558 ' HG3' HG23 ' A' ' 34' ' ' THR . 14.0 mm100 -97.8 -48.82 5.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.033 -0.531 . . . . 1.13 110.11 175.397 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.8 m -161.76 146.26 12.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.906 -0.588 . . . . 0.75 110.442 -178.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.543 HD11 ' HA ' ' A' ' 49' ' ' LYS . 64.0 mt -98.07 143.29 13.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.488 -0.324 . . . . 0.77 110.569 176.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.591 ' H ' ' HB3' ' A' ' 18' ' ' LEU . . . -129.63 169.52 20.77 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.837 -0.619 . . . . 1.06 111.651 176.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -65.21 -44.7 87.48 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.284 0.475 . . . . 2.51 112.284 -175.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.515 ' HD3' ' H ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -120.26 -9.75 9.47 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.946 0.403 . . . . 3.93 110.986 -176.767 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.404 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 12.8 p -157.32 152.3 25.82 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.928 -0.578 . . . . 0.94 109.725 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.591 ' HB3' ' H ' ' A' ' 14' ' ' GLY . 0.4 OUTLIER -145.76 150.05 35.51 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 120.982 0.42 . . . . 1.03 111.633 -176.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.592 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 61.2 mt -93.78 125.54 46.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.609 -0.723 . . . . 0.56 111.24 -173.315 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 71.9 mt -126.17 128.09 71.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.829 -0.623 . . . . 0.21 110.358 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.33 90.64 5.58 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.08 -0.711 . . . . 0.22 109.08 174.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.423 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 29.0 p80 -86.23 153.01 22.32 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.449 -0.796 . . . . 0.27 110.141 -178.026 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -70.13 -164.97 0.08 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.907 -0.588 . . . . 3.05 110.545 176.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.561 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -52.22 -56.29 15.65 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.531 0.567 . . . . 1.5 112.531 -174.201 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.411 HG22 ' H ' ' A' ' 28' ' ' ALA . 24.9 mt 74.01 92.45 0.05 OUTLIER Pre-proline 0 C--N 1.322 -0.63 0 O-C-N 123.797 0.686 . . . . 0.63 110.93 -176.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -71.42 -17.8 30.21 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.384 2.056 . . . . 0.97 111.922 178.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.43 ' CB ' ' HB3' ' A' ' 4' ' ' HIS . 20.4 m -75.54 -23.3 56.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.778 -0.646 . . . . 1.1 111.718 -177.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.411 ' H ' HG22 ' A' ' 25' ' ' ILE . . . -114.22 -2.68 13.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.422 -0.353 . . . . 0.89 110.868 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 61.88 37.17 15.49 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.584 -0.734 . . . . 2.21 110.775 -178.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 45.7 m0 -95.63 172.85 7.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.077 -0.51 . . . . 1.02 110.155 177.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -125.15 32.94 3.81 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.598 -0.81 . . . . 1.67 112.614 -177.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.561 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 73.86 123.61 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.44 0.696 . . . . 0.57 111.474 -178.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -169.69 151.71 4.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.013 -0.54 . . . . 0.84 110.649 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.558 HG23 ' HG3' ' A' ' 11' ' ' GLN . 79.7 m -80.49 104.97 11.39 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.56 -0.745 . . . . 0.75 110.557 -179.206 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.4 tpp -130.47 158.26 40.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.129 -0.487 . . . . 1.6 110.597 -177.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.592 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 36.7 tt0 -96.84 140.82 30.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.487 -178.15 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.528 ' HB3' ' HB2' ' A' ' 68' ' ' LEU . 94.9 m-85 -114.77 148.19 38.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.033 -0.531 . . . . 0.37 110.075 179.411 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.05 135.09 35.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.283 -0.417 . . . . 0.34 110.68 -175.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.38 143.74 76.82 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.131 -0.486 . . . . 0.6 111.615 -177.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -81.02 168.4 17.24 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 122.787 2.324 . . . . 1.1 111.422 175.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -61.42 -11.79 21.23 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.806 2.337 . . . . 2.05 112.438 178.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.87 -19.85 59.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.004 -0.544 . . . . 1.33 111.141 178.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.99 174.63 49.13 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 120.856 -0.688 . . . . 0.93 111.777 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.448 ' HG ' HD21 ' A' ' 18' ' ' LEU . 2.3 mm? -98.17 134.34 22.14 Favored Pre-proline 0 C--N 1.318 -0.798 0 CA-C-O 120.744 0.307 . . . . 0.97 110.739 179.33 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.418 ' HD2' HD21 ' A' ' 48' ' ' LEU . 43.5 Cg_endo -77.91 -167.27 0.47 Allowed 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 122.952 2.434 . . . . 0.69 111.662 173.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.74 156.63 26.84 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.709 -0.678 . . . . 2.12 109.693 178.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.41 20.27 18.13 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.006 -0.616 . . . . 0.63 111.576 -177.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.629 ' HB3' HG11 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -139.97 45.09 1.9 Allowed 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 111.982 0.364 . . . . 1.06 111.982 -176.926 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.543 ' HA ' HD11 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -96.14 171.33 8.67 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.809 -0.357 . . . . 3.0 110.668 -177.577 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.22 113.69 0.47 Allowed 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.795 0.685 . . . . 0.37 112.229 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.32 -17.3 26.49 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.865 -0.683 . . . . 0.38 113.35 177.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -82.87 153.29 25.2 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 117.379 0.59 . . . . 0.53 110.769 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 46.2 ttt-85 -105.35 123.35 47.71 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 108.74 -0.837 . . . . 3.26 108.74 172.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.629 HG11 ' HB3' ' A' ' 48' ' ' LEU . 7.6 m -124.23 154.03 30.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 120.963 0.411 . . . . 0.3 111.306 -177.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.85 115.68 30.26 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.987 -0.745 . . . . 0.16 108.987 177.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.606 ' HB3' HG23 ' A' ' 71' ' ' VAL . 42.3 p90 -134.95 165.08 26.16 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.784 0.661 . . . . 0.36 112.784 -170.092 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.473 ' HB3' ' HG2' ' A' ' 5' ' ' ARG . 87.9 p -127.26 135.66 50.91 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.082 -0.963 . . . . 1.08 109.256 174.1 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -135.99 152.54 51.04 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.332 -0.394 . . . . 0.41 110.33 -178.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -104.36 143.08 33.47 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.645 -0.502 . . . . 3.07 109.645 177.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.68 ' O ' ' HA3' ' A' ' 1' ' ' GLY . 7.9 mt -117.37 125.41 50.96 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.998 -0.546 . . . . 1.04 111.295 -176.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.532 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 28.4 m-20 -93.15 163.96 23.24 Favored Pre-proline 0 C--N 1.317 -0.836 0 N-CA-C 109.362 -0.607 . . . . 1.87 109.362 174.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.41 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 24.7 Cg_exo -64.09 -16.74 56.63 Favored 'Trans proline' 0 CA--C 1.528 0.197 0 C-N-CA 123.221 2.614 . . . . 1.62 113.245 -173.655 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -80.87 -12.23 59.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.919 0.39 . . . . 2.43 110.786 176.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.66 31.0 8.53 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 110.962 -0.855 . . . . 1.08 110.962 -174.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.532 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 22.6 mmt -85.13 110.75 19.2 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.831 -0.433 . . . . 2.74 109.831 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.18 98.43 11.29 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.526 -0.761 . . . . 0.54 109.559 -176.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.05 106.64 17.23 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.509 -0.769 . . . . 0.71 110.777 -173.117 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.528 ' HB2' ' HB3' ' A' ' 37' ' ' PHE . 2.9 tm? -68.21 128.04 35.12 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.417 -0.811 . . . . 1.18 109.27 -179.122 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.4 t -99.67 -57.07 4.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.169 0.509 . . . . 1.01 110.368 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.2 p -145.21 143.74 30.45 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.514 -0.766 . . . . 0.42 110.344 -177.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.606 HG23 ' HB3' ' A' ' 56' ' ' PHE . 7.7 p -138.4 128.0 33.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.115 0.483 . . . . 0.32 109.931 178.426 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.21 124.61 34.12 Favored Pre-proline 0 C--N 1.318 -0.764 0 CA-C-N 116.128 -0.487 . . . . 0.29 110.011 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.459 ' HA ' HG12 ' A' ' 54' ' ' VAL . 40.2 Cg_exo -57.52 109.43 0.47 Allowed 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.362 2.041 . . . . 0.81 111.053 175.508 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.446 ' HG2' ' HA ' ' A' ' 54' ' ' VAL . 17.4 pt20 -109.28 179.48 4.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.56 -0.745 . . . . 1.08 109.657 -178.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.565 ' O ' ' HG3' ' A' ' 76' ' ' GLN . 6.1 m -135.95 97.46 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 CA-C-N 115.736 -0.665 . . . . 1.64 109.474 -173.435 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.565 ' HG3' ' O ' ' A' ' 75' ' ' VAL . 2.9 pp0? 47.9 -138.06 0.79 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.875 -0.602 . . . . 2.57 110.047 -174.497 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 64.8 p -76.34 -12.02 60.0 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 118.6 0.636 . . . . 3.72 111.498 -179.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 63.59 -74.42 0.04 OUTLIER 'General case' 0 C--O 1.236 0.377 0 O-C-N 124.113 0.883 . . . . 3.65 112.036 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 126.48 -81.29 0.36 Allowed Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.954 -0.858 . . . . 5.36 110.954 -176.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.16 136.26 33.12 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.627 -0.508 . . . . 6.59 109.627 174.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.403 ' HD3' ' N ' ' A' ' 81' ' ' LYS . 3.7 mppt? -105.4 108.38 61.3 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 110.091 -0.337 . . . . 10.72 110.091 -177.35 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo . . . . . 0 N--CA 1.447 -1.215 0 C-N-CA 123.339 2.693 . . . . 11.77 112.08 179.89 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 111.344 -0.702 . . . . 1.67 111.344 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.493 ' HD2' ' O ' ' A' ' 60' ' ' LEU . 42.3 Cg_endo -64.24 117.67 4.68 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.882 2.388 . . . . 0.95 112.118 -178.187 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -89.51 114.85 26.44 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.264 -0.88 . . . . 1.13 110.102 -178.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.402 ' NE2' ' HB2' ' A' ' 2' ' ' PRO . 79.7 m-70 -118.43 145.88 44.88 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.424 -0.584 . . . . 0.55 109.424 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.424 ' HA ' ' HA ' ' A' ' 57' ' ' SER . 38.1 mtt180 -89.07 151.14 22.41 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.907 0.385 . . . . 2.51 110.93 177.196 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.454 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . . . -151.81 149.49 29.08 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.893 -0.594 . . . . 0.41 110.278 179.061 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.0 m -119.54 148.55 22.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 116.325 -0.398 . . . . 0.24 110.106 176.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.496 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -174.51 -166.44 32.48 Favored Glycine 0 N--CA 1.442 -0.935 0 C-N-CA 120.484 -0.865 . . . . 0.28 112.222 178.12 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -124.17 135.14 53.26 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.858 -0.793 . . . . 3.19 108.858 -178.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.693 HD11 HG21 ' A' ' 54' ' ' VAL . 47.4 mm -67.04 129.57 31.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 120.816 0.341 . . . . 0.23 110.947 -173.49 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -90.03 -54.31 4.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.573 -0.74 . . . . 1.13 109.677 -178.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.6 m -162.67 147.34 11.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.75 110.32 177.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.774 HD11 ' HA ' ' A' ' 49' ' ' LYS . 80.9 mt -95.25 141.93 14.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.425 -0.352 . . . . 0.77 110.356 178.533 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -109.62 -142.6 9.64 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 111.541 -0.624 . . . . 1.06 111.541 175.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -122.91 -22.67 5.2 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.969 0.414 . . . . 2.51 110.72 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.453 ' HE ' ' HB2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -136.1 -7.58 2.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.213 -0.449 . . . . 3.93 110.396 178.859 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.546 ' CB ' ' HA ' ' A' ' 38' ' ' ALA . 13.5 m -155.3 177.38 11.42 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.988 -1.116 . . . . 0.94 107.988 173.066 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.494 ' HB3' ' HA ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -159.57 152.09 21.3 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.99 0.424 . . . . 1.03 110.806 176.866 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.508 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 14.5 mt -95.91 133.4 37.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.784 -0.643 . . . . 0.56 110.123 -174.373 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 79.0 mt -131.31 124.6 55.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.101 -0.5 . . . . 0.21 110.658 -178.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.649 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -72.15 91.35 1.27 Allowed 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.279 -0.637 . . . . 0.22 109.279 170.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.496 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 29.9 p80 -91.18 154.35 19.38 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.148 -0.478 . . . . 0.27 111.241 -175.514 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -67.64 -171.24 0.18 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.152 -0.931 . . . . 3.05 110.939 174.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.73 -31.6 72.9 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.217 0.451 . . . . 1.5 112.217 -176.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 57.7 mt 67.3 95.31 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 121.124 0.488 . . . . 0.63 111.158 178.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -70.45 -14.72 34.19 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.417 2.078 . . . . 0.97 112.226 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 43.8 m -83.41 -11.62 57.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.727 -0.669 . . . . 1.1 111.384 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.21 -9.64 7.58 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.84 -0.344 . . . . 0.89 111.806 -178.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 60.69 40.6 16.13 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.316 0.579 . . . . 2.21 110.091 -175.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 32.7 m0 -101.52 176.17 5.32 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.325 -0.852 . . . . 1.02 111.348 -177.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -102.99 168.16 17.79 Favored Glycine 0 N--CA 1.438 -1.204 0 CA-C-N 115.137 -0.938 . . . . 1.67 111.375 172.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.17 114.07 17.81 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.737 -0.468 . . . . 0.57 109.737 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -158.37 147.91 19.51 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.077 -0.51 . . . . 0.84 111.274 -174.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.649 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 20.3 m -76.26 106.53 7.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.367 -0.833 . . . . 0.75 110.436 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 63.4 mtp -122.31 165.18 16.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.066 -0.516 . . . . 1.6 111.569 -178.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.508 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 40.0 tt0 -97.75 136.81 37.57 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.24 -0.891 . . . . 1.0 110.464 -179.08 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.45 ' HB3' ' HB2' ' A' ' 68' ' ' LEU . 97.0 m-85 -119.63 118.4 30.87 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.973 -0.558 . . . . 0.37 110.175 176.488 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.546 ' HA ' ' CB ' ' A' ' 17' ' ' SER . . . -67.78 137.01 55.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.481 -0.782 . . . . 0.34 110.384 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.429 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . . . -81.48 146.66 57.86 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.489 -0.323 . . . . 0.6 110.819 -177.503 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 39' ' ' ALA . 22.5 Cg_exo -64.89 150.53 88.0 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 122.345 2.03 . . . . 1.1 110.841 174.326 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -56.54 -16.41 18.64 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.869 2.379 . . . . 2.05 112.373 178.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.86 -30.69 70.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 1.33 111.14 176.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 109.23 -179.42 20.98 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.91 -0.662 . . . . 0.93 112.091 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -99.47 146.31 31.57 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-O 120.776 0.322 . . . . 0.97 111.535 -178.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.681 ' HD2' HD21 ' A' ' 48' ' ' LEU . 61.3 Cg_endo -85.73 -164.26 0.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 123.368 2.712 . . . . 0.69 111.769 170.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.04 150.47 38.59 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.47 -0.787 . . . . 2.12 110.291 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.93 17.02 19.93 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.918 -0.583 . . . . 0.63 112.088 178.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.815 HD23 HG11 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -127.67 49.27 2.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.645 0.26 . . . . 1.06 111.549 -177.656 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.774 ' HA ' HD11 ' A' ' 13' ' ' ILE . 5.1 ptpp? -95.36 167.31 11.42 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.711 -0.396 . . . . 3.0 110.282 -174.115 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.02 110.53 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.819 -0.628 . . . . 0.37 111.182 178.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.93 -23.56 9.94 Favored Glycine 0 N--CA 1.441 -1.006 0 C-N-CA 120.741 -0.743 . . . . 0.38 112.686 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.429 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 12.4 m-20 -71.09 146.64 49.13 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.38 0.61 . . . . 0.53 110.592 -179.421 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.06 119.29 38.58 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 107.959 -1.126 . . . . 3.26 107.959 175.225 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.731 ' HA ' ' H ' ' A' ' 74' ' ' GLN . 15.4 m -128.93 156.43 41.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.159 0.504 . . . . 0.3 111.647 -172.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -115.83 121.22 41.76 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.601 -0.888 . . . . 0.16 108.601 174.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.767 ' HB3' HG23 ' A' ' 71' ' ' VAL . 33.7 p90 -134.58 173.02 12.12 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.339 0.59 . . . . 0.36 112.316 -169.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' A' ' 5' ' ' ARG . 20.6 p -134.1 141.25 47.08 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.456 -0.793 . . . . 1.08 109.584 175.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.445 ' HA ' HG23 ' A' ' 69' ' ' VAL . 40.5 p90 -138.95 164.3 30.08 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.187 -0.301 . . . . 0.41 110.187 -178.006 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.479 ' HG3' ' CG2' ' A' ' 69' ' ' VAL . 21.4 mtm180 -117.15 140.94 48.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.814 0.34 . . . . 3.07 110.316 177.225 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.493 ' O ' ' HD2' ' A' ' 2' ' ' PRO . 15.6 mt -90.06 122.88 33.45 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.725 -0.67 . . . . 1.04 109.975 173.172 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.431 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 28.3 m-20 -86.32 166.42 28.33 Favored Pre-proline 0 C--N 1.316 -0.861 0 N-CA-C 109.23 -0.656 . . . . 1.87 109.23 177.575 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.431 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 15.7 Cg_exo -69.29 1.21 4.32 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 123.008 2.472 . . . . 1.62 113.241 -173.205 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.9 m170 -104.44 -6.84 20.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.368 0.604 . . . . 2.43 110.265 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.6 27.95 15.82 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.155 -0.93 . . . . 1.08 111.342 -178.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 95.7 mmm -99.57 153.42 19.06 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.56 -0.32 . . . . 2.74 110.29 -178.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.72 98.28 6.43 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.467 0.651 . . . . 0.54 109.561 -173.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.538 HG23 ' HB3' ' A' ' 38' ' ' ALA . 4.0 m -105.77 126.59 52.34 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.488 -0.778 . . . . 0.71 110.117 -176.203 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.48 HD11 ' HB2' ' A' ' 56' ' ' PHE . 36.8 tp -71.76 145.24 48.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.623 -0.717 . . . . 1.18 110.969 -173.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.479 ' CG2' ' HG3' ' A' ' 59' ' ' ARG . 46.7 t -106.88 -63.96 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.984 -0.553 . . . . 1.01 109.704 176.476 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.9 p -143.64 153.13 42.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.185 -0.461 . . . . 0.42 110.596 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.815 HG11 HD23 ' A' ' 48' ' ' LEU . 10.4 p -136.28 140.83 42.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.464 -0.569 . . . . 0.32 109.464 177.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -130.83 141.75 43.08 Favored Pre-proline 0 C--N 1.319 -0.718 0 N-CA-C 109.989 -0.375 . . . . 0.29 109.989 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -61.42 110.53 0.93 Allowed 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.545 2.163 . . . . 0.81 112.55 -178.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.731 ' H ' ' HA ' ' A' ' 54' ' ' VAL . 1.6 tt0 -77.31 174.06 11.21 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 115.537 -0.756 . . . . 1.08 109.225 174.291 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.8 m -143.31 73.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 112.914 0.709 . . . . 1.64 112.914 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.455 ' HG3' ' N ' ' A' ' 77' ' ' THR . 6.0 pt20 -122.55 -35.73 3.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.958 0.885 . . . . 2.57 109.829 166.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.455 ' N ' ' HG3' ' A' ' 76' ' ' GLN . 0.2 OUTLIER -136.79 20.51 3.06 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.492 -1.231 . . . . 3.72 109.364 177.635 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.95 164.42 11.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.494 -0.776 . . . . 3.65 110.156 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.17 100.93 0.9 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.944 -0.646 . . . . 5.36 112.716 -177.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -171.46 18.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 6.59 111.171 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.453 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 38.1 ttmt -103.6 121.04 49.69 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 120.788 0.327 . . . . 10.72 110.316 178.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 81' ' ' LYS . 1.8 Cg_endo . . . . . 0 C--O 1.249 1.072 0 C-N-CA 123.171 2.581 . . . . 11.77 111.413 175.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.605 ' HA3' ' O ' ' A' ' 60' ' ' LEU . . . . . . . . 0 N--CA 1.484 1.855 0 CA-C-O 119.917 -0.38 . . . . 1.67 112.265 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -61.03 138.63 79.75 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 123.034 2.489 . . . . 0.95 112.616 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -89.31 136.72 32.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.728 -0.669 . . . . 1.13 110.718 -178.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.457 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 90.4 m-70 -130.48 154.93 47.26 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.536 -0.542 . . . . 0.55 109.536 177.461 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.627 ' HD3' ' HB3' ' A' ' 57' ' ' SER . 26.5 mmt180 -91.51 146.89 23.42 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.701 -0.111 . . . . 2.51 110.701 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -157.03 134.15 10.39 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.32 0.581 . . . . 0.41 112.029 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.489 ' HB ' HE22 ' A' ' 74' ' ' GLN . 18.6 m -120.47 148.54 23.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.706 -0.679 . . . . 0.24 109.572 174.162 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.814 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 177.92 -171.73 44.27 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.06 -1.067 . . . . 0.28 113.042 -179.479 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.496 ' HA ' ' HA ' ' A' ' 53' ' ' ARG . 40.7 ttp-105 -111.84 134.01 53.68 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.792 0.329 . . . . 3.19 110.427 -177.47 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.469 HD11 ' CG2' ' A' ' 54' ' ' VAL . 29.2 mm -72.66 134.18 30.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.985 -0.552 . . . . 0.23 111.014 -176.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.517 ' HB2' ' HB ' ' A' ' 19' ' ' ILE . 13.5 mm100 -91.15 -53.23 4.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.5 -0.318 . . . . 1.13 110.463 176.285 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.588 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 67.2 m -165.4 131.66 2.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.43 . . . . 0.75 109.885 -178.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.882 ' HA ' ' HB3' ' A' ' 18' ' ' LEU . 66.5 mt -95.11 124.55 47.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.144 0.497 . . . . 0.77 110.824 177.132 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -96.86 -159.72 31.64 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.24 -0.891 . . . . 1.06 111.571 178.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -79.74 -40.67 28.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.106 0.479 . . . . 2.51 110.311 -178.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -138.68 9.08 2.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.875 -0.602 . . . . 3.93 111.662 -178.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.0 p -155.74 146.7 22.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.263 -0.426 . . . . 0.94 110.515 177.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.882 ' HB3' ' HA ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -142.3 145.2 33.73 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.964 0.412 . . . . 1.03 110.902 179.492 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.704 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 12.3 mt -91.28 128.52 42.99 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.044 0 N-CA-C 109.124 -0.695 . . . . 0.56 109.124 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 57.8 mt -128.11 124.81 63.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-O 120.925 0.393 . . . . 0.21 110.614 -178.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.56 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -84.18 89.61 7.35 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.759 -0.83 . . . . 0.22 108.759 173.353 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.814 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 28.2 p80 -90.44 153.66 20.23 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.653 -0.703 . . . . 0.27 110.798 -176.373 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -68.77 -166.24 0.07 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.313 -0.858 . . . . 3.05 110.828 176.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.532 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -52.06 -50.91 60.58 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.271 0.841 . . . . 1.5 113.271 -172.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.516 HG23 ' O ' ' A' ' 5' ' ' ARG . 24.6 mt 75.48 91.76 0.05 OUTLIER Pre-proline 0 C--N 1.321 -0.64 0 O-C-N 123.59 0.556 . . . . 0.63 110.583 -174.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -76.33 -0.49 10.44 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.354 2.036 . . . . 0.97 112.114 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.457 ' HB2' ' HB3' ' A' ' 4' ' ' HIS . 15.6 m -88.2 -20.89 24.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.919 -0.582 . . . . 1.1 110.747 177.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.66 -2.2 8.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.545 -0.298 . . . . 0.89 111.696 -176.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 66.1 25.51 10.79 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.512 0.507 . . . . 2.21 111.316 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 49.2 m0 -83.85 172.19 12.38 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.785 -0.45 . . . . 1.02 109.785 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.42 44.58 1.22 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.681 -0.771 . . . . 1.67 113.11 -176.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.532 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 70.65 125.21 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.128 0.571 . . . . 0.57 111.699 177.543 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 22.4 ptp -168.13 145.47 4.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.984 -0.553 . . . . 0.84 110.878 -176.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.56 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 23.9 m -85.57 106.09 16.63 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.498 -0.774 . . . . 0.75 109.674 178.36 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 29.4 ttm -129.91 149.29 51.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.353 -0.385 . . . . 1.6 111.087 -175.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.704 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 44.2 tt0 -85.43 135.51 33.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.208 178.199 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -114.72 142.16 46.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.012 -0.54 . . . . 0.37 110.079 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.535 ' HB3' HG23 ' A' ' 67' ' ' THR . . . -84.01 132.55 34.73 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.198 -0.455 . . . . 0.34 109.971 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.6 147.57 33.43 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 116.037 -0.529 . . . . 0.6 111.035 -177.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 23.1 Cg_endo -62.09 148.9 92.3 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.609 2.206 . . . . 1.1 111.3 172.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 40' ' ' PRO . 40.3 Cg_exo -57.66 -15.88 22.44 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.263 2.642 . . . . 2.05 113.243 -178.17 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.55 -25.11 63.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.45 -0.341 . . . . 1.33 111.14 177.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.96 170.77 38.49 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.96 -0.638 . . . . 0.93 112.449 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.445 HD22 ' N ' ' A' ' 44' ' ' LEU . 2.1 mm? -97.39 152.94 38.51 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 110.155 -0.313 . . . . 0.97 110.155 -178.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.433 ' HD2' HD11 ' A' ' 48' ' ' LEU . 1.7 Cg_endo -82.23 -165.95 0.36 Allowed 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 122.909 2.406 . . . . 0.69 111.115 171.1 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -116.54 176.0 5.31 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.468 -0.567 . . . . 2.12 109.468 175.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.8 6.25 85.54 Favored Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.336 -0.935 . . . . 0.63 110.928 -176.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.654 HD22 HG13 ' A' ' 71' ' ' VAL . 1.5 pp -147.4 40.26 1.02 Allowed 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 114.679 -0.76 . . . . 1.06 110.01 -178.001 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.401 ' H ' ' HG3' ' A' ' 49' ' ' LYS . 1.5 pptp? -96.94 -175.51 3.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.545 -0.752 . . . . 3.0 111.38 -171.354 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.588 ' HB2' ' HA ' ' A' ' 12' ' ' SER . . . -48.17 113.04 0.66 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.31 -0.405 . . . . 0.37 111.952 179.415 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.61 -23.82 11.73 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.143 -0.551 . . . . 0.38 112.152 -178.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -77.46 148.75 35.23 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 121.091 0.472 . . . . 0.53 111.039 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.801 ' HD3' ' HA ' ' A' ' 76' ' ' GLN . 76.7 ttt180 -111.95 114.48 27.41 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.643 -0.873 . . . . 3.26 108.643 173.656 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.686 HG12 ' HA ' ' A' ' 73' ' ' PRO . 11.8 m -125.76 167.65 19.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.253 -0.43 . . . . 0.3 111.654 -169.268 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.425 ' HA ' HG12 ' A' ' 7' ' ' VAL . . . -114.45 123.9 50.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.658 -0.701 . . . . 0.16 109.812 177.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.664 ' HB3' HG23 ' A' ' 71' ' ' VAL . 20.5 p90 -141.74 -176.53 4.8 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.298 0.57 . . . . 0.36 111.517 -174.101 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.627 ' HB3' ' HD3' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -133.98 -178.22 4.93 Favored 'General case' 0 N--CA 1.438 -1.058 0 N-CA-C 108.484 -0.932 . . . . 1.08 108.484 168.757 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -166.21 162.32 17.42 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 110.141 -0.318 . . . . 0.41 110.141 178.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.403 ' HG3' HG11 ' A' ' 69' ' ' VAL . 77.2 mtm180 -119.82 137.74 53.8 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.231 -0.44 . . . . 3.07 110.13 177.024 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.605 ' O ' ' HA3' ' A' ' 1' ' ' GLY . 17.9 mt -95.87 125.12 40.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.858 -0.61 . . . . 1.04 110.736 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.75 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 5.6 m-20 -89.44 166.39 21.51 Favored Pre-proline 0 C--N 1.32 -0.681 0 N-CA-C 109.28 -0.637 . . . . 1.87 109.28 175.319 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.469 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 17.7 Cg_exo -67.13 -2.73 8.52 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 123.265 2.643 . . . . 1.62 113.459 -172.01 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -102.08 1.46 36.37 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.063 0.459 . . . . 2.43 110.7 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.45 24.21 44.17 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 110.842 -0.903 . . . . 1.08 110.842 -175.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.75 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 91.4 mmm -81.45 132.58 35.33 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 115.27 -0.465 . . . . 2.74 110.247 -177.088 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.76 98.27 7.98 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 109.008 -0.738 . . . . 0.54 109.008 -177.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.535 HG23 ' HB3' ' A' ' 38' ' ' ALA . 1.2 m -105.66 119.81 40.08 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 115.907 -0.588 . . . . 0.71 110.658 -174.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.9 tp -67.46 141.44 56.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.321 -0.854 . . . . 1.18 109.882 -177.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.741 HG23 ' H ' ' A' ' 70' ' ' THR . 9.1 m -109.57 -64.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.752 0.311 . . . . 1.01 111.337 -178.039 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.741 ' H ' HG23 ' A' ' 69' ' ' VAL . 31.7 p -142.69 142.86 32.1 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.037 -0.727 . . . . 0.42 109.037 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.664 HG23 ' HB3' ' A' ' 56' ' ' PHE . 10.7 p -136.19 138.55 46.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.022 0.439 . . . . 0.32 110.705 178.172 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -127.7 142.33 43.86 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.628 -0.714 . . . . 0.29 109.933 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.686 ' HA ' HG12 ' A' ' 54' ' ' VAL . 30.0 Cg_endo -64.0 127.38 19.27 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.477 2.118 . . . . 0.81 111.902 179.246 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.489 HE22 ' HB ' ' A' ' 7' ' ' VAL . 9.3 pt20 -129.14 178.25 6.56 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.403 -0.592 . . . . 1.08 109.403 178.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.8 m -130.23 100.33 4.98 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 N-CA-C 108.898 -0.779 . . . . 1.64 108.898 -177.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.801 ' HA ' ' HD3' ' A' ' 53' ' ' ARG . 14.9 pt20 47.21 -110.23 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.806 -1.088 . . . . 2.57 112.352 -176.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.584 ' H ' ' HG3' ' A' ' 76' ' ' GLN . 30.8 m -96.6 91.24 5.65 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-O 121.618 0.723 . . . . 3.72 110.797 178.615 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.28 -26.61 32.98 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.225 -0.898 . . . . 3.65 110.533 175.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -160.69 -111.0 0.27 Allowed Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 111.439 -0.664 . . . . 5.36 111.439 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 70.77 -58.18 0.57 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.566 0.746 . . . . 6.59 112.34 176.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 10.7 mtpm? -103.49 108.79 60.41 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-O 120.749 0.309 . . . . 10.72 111.355 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 81' ' ' LYS . 1.7 Cg_endo . . . . . 0 C--O 1.251 1.158 0 C-N-CA 122.998 2.465 . . . . 11.77 111.08 174.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.421 ' HD2' ' O ' ' A' ' 60' ' ' LEU . 33.5 Cg_endo . . . . . 0 C--O 1.234 0.324 0 CA-C-O 120.961 0.317 . . . . 0.95 112.485 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -96.28 133.13 41.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.924 -0.58 . . . . 1.13 110.007 -178.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -127.14 156.9 41.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.465 -0.334 . . . . 0.55 110.133 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.421 ' O ' HG23 ' A' ' 25' ' ' ILE . 20.4 tpt180 -89.17 141.12 28.8 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.917 -0.401 . . . . 2.51 109.917 178.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -148.21 126.91 12.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.252 0.548 . . . . 0.41 111.199 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.533 ' HB ' HE22 ' A' ' 74' ' ' GLN . 17.6 m -111.94 150.74 14.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.92 -0.582 . . . . 0.24 110.075 174.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.709 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 176.72 -173.69 46.48 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.187 -1.006 . . . . 0.28 112.763 178.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.4 ttp85 -111.22 132.49 54.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.835 0.35 . . . . 3.19 110.073 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.513 HD11 ' CG2' ' A' ' 54' ' ' VAL . 39.8 mm -66.56 124.76 22.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.028 -0.533 . . . . 0.23 110.335 -177.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -89.93 -48.76 7.01 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.956 -0.566 . . . . 1.13 109.601 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.468 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 37.6 m -160.52 149.31 16.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.848 -0.614 . . . . 0.75 110.097 178.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.6 HD11 ' HA ' ' A' ' 49' ' ' LYS . 34.6 mt -102.82 142.11 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.88 0.372 . . . . 0.77 110.784 177.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.51 ' H ' ' HB3' ' A' ' 18' ' ' LEU . . . -121.98 -174.07 14.55 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.773 -0.649 . . . . 1.06 112.297 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.721 ' HG3' ' HG3' ' A' ' 16' ' ' ARG . 8.9 pt-20 -70.96 -44.1 66.73 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 122.438 0.295 . . . . 2.51 111.715 -176.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.721 ' HG3' ' HG3' ' A' ' 15' ' ' GLU . 3.9 ppt_? -143.0 8.5 1.67 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.381 0.61 . . . . 3.93 110.897 178.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.458 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 17.4 p -156.03 147.73 22.94 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.378 -0.828 . . . . 0.94 108.784 174.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.644 HD21 ' HG ' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -147.01 146.5 30.07 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 116.195 -0.457 . . . . 1.03 111.1 -175.727 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.677 HG22 HG22 ' A' ' 34' ' ' THR . 15.9 mt -91.56 126.84 44.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.687 -0.688 . . . . 0.56 110.181 -176.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.2 mt -125.37 126.19 70.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.727 -0.669 . . . . 0.21 110.167 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.79 89.26 2.86 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.052 -0.722 . . . . 0.22 109.052 171.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.709 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 28.3 p80 -87.61 153.25 21.54 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.755 -0.657 . . . . 0.27 110.685 -178.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.417 ' O ' HG13 ' A' ' 25' ' ' ILE . 48.3 mt-10 -71.25 -170.01 0.44 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.48 -0.782 . . . . 3.05 109.969 175.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.418 ' O ' ' HB ' ' A' ' 25' ' ' ILE . . . -57.91 -36.26 72.2 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.842 0.682 . . . . 1.5 112.842 -172.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.421 HG23 ' O ' ' A' ' 5' ' ' ARG . 48.2 mt 69.13 89.6 0.09 OUTLIER Pre-proline 0 C--N 1.319 -0.742 0 CA-C-O 121.144 0.497 . . . . 0.63 110.744 -177.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -70.87 -5.12 16.18 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 123.061 2.507 . . . . 0.97 112.165 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.4 m -87.82 -18.14 29.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.167 -0.47 . . . . 1.1 111.124 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.96 -6.06 8.46 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.935 0.346 . . . . 0.89 111.935 -176.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 58.79 45.31 15.73 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.764 0.792 . . . . 2.21 109.906 -177.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 29.7 m0 -105.74 175.62 5.44 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.689 -1.141 . . . . 1.02 110.488 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.442 ' O ' ' HG2' ' A' ' 33' ' ' MET . . . -106.77 163.57 13.39 Favored Glycine 0 N--CA 1.44 -1.095 0 N-CA-C 110.889 -0.884 . . . . 1.67 110.889 171.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.07 123.31 20.73 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.702 0.287 . . . . 0.57 110.285 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.442 ' HG2' ' O ' ' A' ' 31' ' ' GLY . 2.6 ptt? -164.54 153.83 13.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.193 0.52 . . . . 0.84 111.58 -175.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.677 HG22 HG22 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -78.38 106.94 10.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.012 -0.995 . . . . 0.75 110.101 179.731 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 37.8 ttm -129.92 147.83 51.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.493 -0.321 . . . . 1.6 111.616 -176.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.535 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 40.4 tt0 -86.62 136.3 33.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.828 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -116.88 139.72 50.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.079 -0.51 . . . . 0.37 110.079 176.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.7 133.43 34.02 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.458 -0.337 . . . . 0.34 110.45 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.427 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . . . -93.22 149.04 36.76 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.432 -0.349 . . . . 0.6 111.013 -178.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 39' ' ' ALA . 17.6 Cg_exo -67.01 159.55 51.46 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.735 2.29 . . . . 1.1 111.529 174.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -62.67 -4.62 5.97 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 122.954 2.436 . . . . 2.05 113.189 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.89 -15.48 51.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.882 0.373 . . . . 1.33 111.066 178.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.39 179.77 45.13 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.833 -0.699 . . . . 0.93 112.457 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.644 ' HG ' HD21 ' A' ' 18' ' ' LEU . 2.6 mm? -103.1 150.79 38.2 Favored Pre-proline 0 C--N 1.318 -0.761 0 CA-C-O 120.994 0.426 . . . . 0.97 111.074 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 5.1 Cg_exo -80.1 -163.53 0.23 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 123.597 2.865 . . . . 0.69 111.884 171.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.676 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 0.8 OUTLIER -117.06 170.27 8.78 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.212 -0.904 . . . . 2.12 110.014 177.68 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.15 13.38 74.37 Favored Glycine 0 N--CA 1.454 -0.143 0 C-N-CA 121.075 -0.583 . . . . 0.63 111.65 -177.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.705 ' HB3' HG11 ' A' ' 54' ' ' VAL . 0.9 OUTLIER -140.95 42.81 1.82 Allowed 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 121.21 0.529 . . . . 1.06 110.526 -178.155 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.6 ' HA ' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -96.52 172.02 8.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.821 -0.627 . . . . 3.0 110.283 -176.678 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.468 ' HB2' ' HA ' ' A' ' 12' ' ' SER . . . -50.84 106.51 0.13 Allowed 'General case' 0 C--O 1.231 0.126 0 CA-C-O 121.02 0.438 . . . . 0.37 110.957 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.75 -15.23 7.52 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.584 -0.735 . . . . 0.38 112.114 -177.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -89.93 157.65 17.77 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 121.294 0.569 . . . . 0.53 111.105 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -117.57 122.63 44.16 Favored 'General case' 0 N--CA 1.438 -1.028 0 N-CA-C 108.337 -0.986 . . . . 3.26 108.337 172.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.705 HG11 ' HB3' ' A' ' 48' ' ' LEU . 8.4 m -131.27 162.25 39.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.131 0.491 . . . . 0.3 111.585 -174.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -114.38 117.62 31.55 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.572 -0.74 . . . . 0.16 109.706 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.557 ' HB2' HD11 ' A' ' 68' ' ' LEU . 7.7 p90 -127.97 168.0 15.89 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.704 0.764 . . . . 0.36 112.496 -173.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.6 p -126.04 140.43 52.6 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.719 -1.128 . . . . 1.08 109.0 172.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.403 ' CE2' ' HG ' ' A' ' 60' ' ' LEU . 11.7 p90 -137.54 154.85 49.76 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.694 0.283 . . . . 0.41 110.319 -177.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.498 ' HG3' ' CG2' ' A' ' 69' ' ' VAL . 31.8 mtm180 -104.18 128.01 51.83 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 110.01 -0.367 . . . . 3.07 110.01 178.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 65' ' ' MET . 7.0 mt -96.89 108.04 20.66 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.934 -0.576 . . . . 1.04 110.065 175.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.401 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 6.3 m-20 -80.52 161.54 64.07 Favored Pre-proline 0 C--N 1.311 -1.093 0 N-CA-C 108.519 -0.919 . . . . 1.87 108.519 176.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.401 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 22.2 Cg_exo -63.42 -17.94 62.32 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.919 2.413 . . . . 1.62 112.903 -167.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -77.07 -17.92 58.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.146 -0.479 . . . . 2.43 110.339 -178.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.77 30.45 6.8 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 110.904 -0.879 . . . . 1.08 110.904 -174.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.468 ' O ' HD23 ' A' ' 60' ' ' LEU . 24.5 mmt -95.62 135.61 37.07 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 115.549 -0.325 . . . . 2.74 110.209 -179.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -109.05 98.25 7.74 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.648 -0.706 . . . . 0.54 109.464 -176.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.7 m -107.46 116.85 32.67 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.523 -0.762 . . . . 0.71 110.627 -174.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.557 HD11 ' HB2' ' A' ' 56' ' ' PHE . 29.1 tp -70.53 140.95 51.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.799 -0.637 . . . . 1.18 110.011 -178.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.502 HG12 HG23 ' A' ' 70' ' ' THR . 46.4 t -111.99 -64.09 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.391 0.615 . . . . 1.01 110.029 -178.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.502 HG23 HG12 ' A' ' 69' ' ' VAL . 26.7 p -142.8 138.48 30.42 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.35 -0.841 . . . . 0.42 110.124 -176.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.523 ' HB ' ' HB3' ' A' ' 56' ' ' PHE . 7.2 p -133.96 133.05 56.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 121.053 0.454 . . . . 0.32 110.159 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -126.37 143.61 46.58 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.07 -0.513 . . . . 0.29 110.261 -178.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -48.59 124.7 11.29 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 123.247 2.631 . . . . 0.81 113.585 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.549 ' HG2' ' CA ' ' A' ' 54' ' ' VAL . 2.4 pt20 -117.35 176.21 5.26 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 107.18 -1.415 . . . . 1.08 107.18 168.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.307 -1.246 0 CA-C-O 121.566 0.698 . . . . 1.64 110.347 177.533 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo . . . . . 0 N--CA 1.461 -0.439 0 CA-C-O 121.288 0.453 . . . . 0.95 112.426 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -103.89 111.03 23.39 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.498 -0.774 . . . . 1.13 109.691 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.476 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 58.3 m-70 -100.41 143.33 30.72 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.698 -0.482 . . . . 0.55 109.698 -175.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.408 ' HD3' ' HB3' ' A' ' 57' ' ' SER . 10.6 mmt180 -91.68 147.34 23.07 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.018 -0.364 . . . . 2.51 110.018 177.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -148.98 140.01 22.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.04 0.448 . . . . 0.41 111.101 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.6 m -116.1 152.2 17.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.945 -0.571 . . . . 0.24 109.871 173.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.806 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 172.98 -171.95 44.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.234 -0.984 . . . . 0.28 112.522 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.663 ' HG3' ' HG3' ' A' ' 53' ' ' ARG . 46.5 mtm180 -109.63 130.53 55.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.94 0.4 . . . . 3.19 110.392 -178.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.538 HD11 HG21 ' A' ' 54' ' ' VAL . 39.8 mm -65.07 124.62 20.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 115.865 -0.607 . . . . 0.23 110.109 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -83.92 -51.14 7.4 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.31 -0.626 . . . . 1.13 109.31 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.4 m -159.97 163.42 34.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.803 -0.635 . . . . 0.75 110.211 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.821 HG23 HD22 ' A' ' 18' ' ' LEU . 93.1 mt -107.85 139.13 31.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.33 -0.619 . . . . 0.77 109.33 177.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -114.57 -162.57 14.11 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.764 -0.732 . . . . 1.06 112.788 -177.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -82.84 -42.16 18.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.156 0.503 . . . . 2.51 110.325 -178.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -139.15 5.89 2.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.807 -0.633 . . . . 3.93 111.244 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 p -155.45 145.77 21.85 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.903 -0.59 . . . . 0.94 109.757 176.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.821 HD22 HG23 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -120.72 141.83 50.08 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 109.383 -0.599 . . . . 1.03 109.383 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.493 HG22 HG22 ' A' ' 34' ' ' THR . 17.3 mt -91.13 126.77 43.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.33 -0.618 . . . . 0.56 109.33 178.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.8 mt -127.64 118.01 48.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.973 -0.558 . . . . 0.21 110.529 -176.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.722 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -73.18 91.03 1.62 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.052 -0.721 . . . . 0.22 109.052 169.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.806 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 25.7 p80 -88.96 151.07 22.52 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.059 -0.519 . . . . 0.27 111.153 -174.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -69.27 -165.18 0.07 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.011 -0.995 . . . . 3.05 111.401 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.578 ' O ' ' HD3' ' A' ' 26' ' ' PRO . . . -70.94 112.74 7.34 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 114.905 -1.043 . . . . 1.5 109.915 175.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.537 HG22 ' H ' ' A' ' 28' ' ' ALA . 60.6 mt -93.24 102.39 7.25 Favored Pre-proline 0 C--N 1.317 -0.838 0 CA-C-N 115.6 -0.727 . . . . 0.63 110.438 178.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.578 ' HD3' ' O ' ' A' ' 24' ' ' ALA . 2.8 Cg_exo -76.38 -8.67 18.59 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.614 2.209 . . . . 0.97 111.782 179.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.476 ' HB2' ' HB3' ' A' ' 4' ' ' HIS . 1.4 m -83.61 -25.14 31.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.148 -0.478 . . . . 1.1 110.513 178.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.537 ' H ' HG22 ' A' ' 25' ' ' ILE . . . -123.93 0.63 8.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.405 -0.361 . . . . 0.89 111.674 -177.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 64.04 30.39 14.0 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.974 0.416 . . . . 2.21 111.33 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 54.4 m0 -103.2 108.9 20.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.992 0.425 . . . . 1.02 109.891 178.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -89.16 68.87 2.68 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.829 -0.623 . . . . 1.67 113.143 -172.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.431 ' HA ' ' O ' ' A' ' 22' ' ' HIS . . . 70.58 119.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.65 0.738 . . . . 0.57 112.585 174.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.409 ' HG3' ' HG3' ' A' ' 35' ' ' MET . 23.0 ptp -171.77 146.81 2.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.263 -0.88 . . . . 0.84 110.028 178.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.722 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 5.4 m -82.13 103.6 11.86 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.239 -0.437 . . . . 0.75 109.888 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.409 ' HG3' ' HG3' ' A' ' 33' ' ' MET . 65.2 mtp -116.98 165.08 13.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.935 0.397 . . . . 1.6 111.851 -175.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.425 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 35.7 tt0 -106.34 128.99 54.42 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.287 -0.869 . . . . 1.0 109.983 178.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -114.09 129.6 56.61 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.475 -0.33 . . . . 0.37 110.417 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.47 141.07 37.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.075 -0.511 . . . . 0.34 110.909 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.16 145.36 83.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.178 -0.465 . . . . 0.6 111.652 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.45 170.08 19.31 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.609 2.206 . . . . 1.1 111.217 173.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.57 -16.28 35.38 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 122.829 2.353 . . . . 2.05 113.166 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.1 -11.09 56.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.892 0.377 . . . . 1.33 111.256 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.09 -160.52 29.7 Favored Glycine 0 N--CA 1.435 -1.367 0 N-CA-C 111.229 -0.748 . . . . 0.93 111.229 -177.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.67 ' HG ' HD21 ' A' ' 18' ' ' LEU . 2.7 mm? -101.0 142.37 24.48 Favored Pre-proline 0 C--N 1.314 -0.964 0 CA-C-O 120.836 0.351 . . . . 0.97 110.66 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.486 ' HD2' HD21 ' A' ' 48' ' ' LEU . 52.2 Cg_endo -82.96 -160.96 0.13 Allowed 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 122.935 2.424 . . . . 0.69 111.503 170.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -113.05 159.98 18.61 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.729 -0.668 . . . . 2.12 109.343 177.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.03 20.87 24.67 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.779 -0.724 . . . . 0.63 111.88 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.836 HD23 HG11 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -131.61 50.09 2.26 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.975 0.361 . . . . 1.06 111.975 -176.273 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.713 ' HA ' HD11 ' A' ' 13' ' ' ILE . 6.9 ptpp? -95.17 160.98 14.3 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.377 -0.529 . . . . 3.0 111.035 -173.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.04 111.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.405 -0.816 . . . . 0.37 111.3 176.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.23 -9.65 28.93 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.886 -0.673 . . . . 0.38 112.848 178.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.541 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 3.5 m-20 -82.76 144.56 30.1 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 117.138 0.469 . . . . 0.53 110.317 176.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.663 ' HG3' ' HG3' ' A' ' 9' ' ' ARG . 12.2 ttt180 -104.28 101.52 11.23 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.173 -1.047 . . . . 3.26 108.173 174.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.538 HG21 HD11 ' A' ' 10' ' ' ILE . 18.3 m -106.84 163.14 5.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 120.938 0.399 . . . . 0.3 111.35 -169.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -113.27 111.59 22.29 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.91 -0.774 . . . . 0.16 108.91 174.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.927 ' HB3' HG23 ' A' ' 71' ' ' VAL . 25.3 p90 -129.92 178.64 6.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.311 0.577 . . . . 0.36 112.506 -170.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.475 ' OG ' ' HB ' ' A' ' 69' ' ' VAL . 66.2 p -136.93 151.46 49.07 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.298 -0.865 . . . . 1.08 110.062 179.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.458 ' HA ' HG23 ' A' ' 69' ' ' VAL . 44.5 p90 -145.97 153.6 40.97 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.915 0.388 . . . . 0.41 110.38 177.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.464 ' HG3' ' CG2' ' A' ' 69' ' ' VAL . 83.8 mtt180 -114.8 137.3 52.1 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.685 -0.487 . . . . 3.07 109.685 177.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 65' ' ' MET . 14.1 mt -90.89 111.42 22.83 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.218 -0.66 . . . . 1.04 109.218 174.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -76.45 162.77 69.71 Favored Pre-proline 0 C--N 1.315 -0.904 0 N-CA-C 108.108 -1.071 . . . . 1.87 108.108 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -68.15 1.91 3.11 Favored 'Trans proline' 0 CA--C 1.527 0.133 0 C-N-CA 122.642 2.228 . . . . 1.62 112.885 -171.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.64 ' HB3' ' HG3' ' A' ' 65' ' ' MET . 17.0 t-80 -101.05 -11.66 19.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.836 -0.62 . . . . 2.43 109.507 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.13 31.56 8.42 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.171 -0.922 . . . . 1.08 111.347 -175.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.64 ' HG3' ' HB3' ' A' ' 63' ' ' HIS . 54.2 mtm -96.34 152.51 18.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.655 -0.272 . . . . 2.74 110.267 -177.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.61 97.13 5.83 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 109.073 -0.714 . . . . 0.54 109.073 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.9 m -110.07 125.51 53.04 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.495 -0.775 . . . . 0.71 110.751 -174.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.2 tp -70.43 137.82 50.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.533 -0.758 . . . . 1.18 110.105 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.475 ' HB ' ' OG ' ' A' ' 57' ' ' SER . 22.8 t -102.99 -63.22 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.201 0.524 . . . . 1.01 110.142 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.8 p -139.97 154.26 47.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.613 -0.721 . . . . 0.42 109.673 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.927 HG23 ' HB3' ' A' ' 56' ' ' PHE . 9.8 p -139.45 130.78 33.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.102 -0.703 . . . . 0.32 109.102 173.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -121.42 136.93 26.3 Favored Pre-proline 0 C--N 1.315 -0.915 0 N-CA-C 109.958 -0.386 . . . . 0.29 109.958 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -66.42 103.64 0.68 Allowed 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 122.013 1.809 . . . . 0.81 111.945 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.41 ' HG3' ' N ' ' A' ' 75' ' ' VAL . 8.7 pt20 -105.26 179.35 4.3 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 107.566 -1.272 . . . . 1.08 107.566 172.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.41 ' N ' ' HG3' ' A' ' 74' ' ' GLN . 1.0 OUTLIER . . . . . 0 C--N 1.305 -1.348 0 N-CA-C 108.492 -0.929 . . . . 1.64 108.492 176.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 C--O 1.234 0.324 0 CA-C-O 120.846 0.269 . . . . 0.95 112.332 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 58' ' ' PHE . 36.9 tt0 -77.69 136.5 38.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.171 -0.468 . . . . 1.13 110.297 178.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -126.21 143.41 51.15 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.886 -0.783 . . . . 0.55 108.886 175.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.582 ' HD2' ' HB3' ' A' ' 57' ' ' SER . 16.7 mmm180 -83.43 133.76 34.91 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.92 -0.4 . . . . 2.51 109.92 177.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.459 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . . . -137.51 141.19 41.48 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-O 121.165 0.507 . . . . 0.41 110.603 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.9 m -119.23 149.43 21.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.876 -0.602 . . . . 0.24 109.918 173.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.536 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -179.12 -160.22 24.61 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.578 -0.82 . . . . 0.28 112.284 179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.2 ttm-85 -128.17 132.18 48.88 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.95 -0.389 . . . . 3.19 109.95 -177.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.591 HD11 HG21 ' A' ' 54' ' ' VAL . 30.4 mm -63.12 131.37 28.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.923 -0.581 . . . . 0.23 110.12 -178.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -98.45 -41.85 7.6 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.582 -0.525 . . . . 1.13 109.582 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -155.95 163.44 39.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.923 -0.581 . . . . 0.75 109.587 174.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.436 HG13 ' HD3' ' A' ' 49' ' ' LYS . 14.5 mm -115.7 153.88 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.431 0.634 . . . . 0.77 111.408 -178.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.581 ' HA3' ' O ' ' A' ' 17' ' ' SER . . . -149.04 159.61 28.1 Favored Glycine 0 N--CA 1.437 -1.259 0 N-CA-C 110.217 -1.153 . . . . 1.06 110.217 176.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.482 ' CD ' ' H ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -72.75 -31.36 64.88 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 120.969 0.414 . . . . 2.51 110.754 -175.816 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.63 -4.96 4.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.093 -0.503 . . . . 3.93 111.974 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.581 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 2.3 p -158.73 137.87 11.42 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.289 -0.263 . . . . 0.94 110.289 176.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.612 HD21 ' HG ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -142.36 148.54 38.08 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.256 0.55 . . . . 1.03 111.598 -176.747 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.545 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 38.8 mt -94.29 128.5 45.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.409 -0.814 . . . . 0.56 110.489 -174.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.9 mt -129.1 124.51 60.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.098 0.475 . . . . 0.21 110.96 -178.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.487 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -76.88 92.28 3.63 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.324 -0.621 . . . . 0.22 109.324 171.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.536 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 31.5 p80 -92.51 153.28 19.18 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.988 -0.551 . . . . 0.27 110.313 -177.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -72.08 -166.03 0.21 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.025 -0.534 . . . . 3.05 110.213 174.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.41 -25.76 66.92 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.954 0.353 . . . . 1.5 111.954 -173.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.9 mt 62.7 83.77 0.2 Allowed Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 120.889 0.376 . . . . 0.63 110.779 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.44 -16.58 55.47 Favored 'Trans proline' 0 CA--C 1.526 0.116 0 C-N-CA 122.602 2.201 . . . . 0.97 112.123 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.3 t -75.46 -22.12 57.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.985 -0.552 . . . . 1.1 110.808 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.3 -3.69 8.43 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.474 0.546 . . . . 0.89 112.474 -174.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 60.27 41.61 16.27 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.47 0.653 . . . . 2.21 110.722 -178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -96.05 176.28 6.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.341 -0.845 . . . . 1.02 110.88 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -102.42 166.75 17.37 Favored Glycine 0 N--CA 1.441 -1.013 0 C-N-CA 120.535 -0.84 . . . . 1.67 111.113 170.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.98 111.14 18.57 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.525 -0.546 . . . . 0.57 109.525 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 6.4 ptt? -158.97 159.29 34.69 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.258 0.551 . . . . 0.84 111.277 -172.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 21.9 m -92.56 104.32 16.64 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.135 -0.939 . . . . 0.75 110.628 -176.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.6 mmm -122.97 163.83 19.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.899 -0.591 . . . . 1.6 111.196 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.545 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 42.6 tt0 -101.22 140.18 35.87 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.701 -0.682 . . . . 1.0 110.934 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -115.54 139.24 50.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.661 -0.7 . . . . 0.37 110.188 -177.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.02 129.23 35.01 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.951 -0.568 . . . . 0.34 109.985 177.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.92 152.64 44.64 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 116.369 -0.378 . . . . 0.6 111.11 -175.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.479 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 36.7 Cg_exo -58.05 145.26 92.67 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.613 2.208 . . . . 1.1 111.448 173.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 40' ' ' PRO . 32.6 Cg_exo -60.32 -14.62 30.6 Favored 'Trans proline' 0 CA--C 1.53 0.323 0 C-N-CA 122.871 2.381 . . . . 2.05 112.617 178.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.29 -3.79 59.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.91 0.386 . . . . 1.33 110.959 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.14 177.62 47.47 Favored Glycine 0 N--CA 1.439 -1.12 0 C-N-CA 120.907 -0.663 . . . . 0.93 112.669 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.612 ' HG ' HD21 ' A' ' 18' ' ' LEU . 2.7 mm? -96.46 157.07 36.04 Favored Pre-proline 0 C--N 1.317 -0.843 0 CA-C-N 115.182 -0.509 . . . . 0.97 110.746 -178.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.541 ' HD2' HD21 ' A' ' 48' ' ' LEU . 12.6 Cg_exo -71.46 -163.78 0.14 Allowed 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.673 2.249 . . . . 0.69 111.727 170.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.97 156.26 25.39 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.666 -0.697 . . . . 2.12 110.151 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.86 16.19 42.76 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.672 -0.775 . . . . 0.63 112.383 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.541 HD21 ' HD2' ' A' ' 45' ' ' PRO . 0.9 OUTLIER -138.53 53.42 1.79 Allowed 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 121.116 0.484 . . . . 1.06 111.624 -175.705 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.436 ' HD3' HG13 ' A' ' 13' ' ' ILE . 75.7 mmtt -96.3 170.45 9.23 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.343 -0.39 . . . . 3.0 110.867 -177.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.2 115.58 1.04 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.779 -0.646 . . . . 0.37 111.374 176.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.19 -15.93 25.18 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.164 -0.541 . . . . 0.38 112.822 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -84.85 157.81 20.81 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.15 0.5 . . . . 0.53 111.795 -177.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.0 ttt85 -104.01 127.26 51.56 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.418 -0.81 . . . . 3.26 109.013 172.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.604 ' HA ' ' H ' ' A' ' 74' ' ' GLN . 15.7 m -132.36 158.06 43.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.922 0.391 . . . . 0.3 111.361 -177.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -115.36 118.18 32.52 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.917 -0.772 . . . . 0.16 108.917 174.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.728 ' HB3' HG23 ' A' ' 71' ' ' VAL . 27.9 p90 -135.54 174.08 11.0 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.56 0.578 . . . . 0.36 112.56 -169.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.582 ' HB3' ' HD2' ' A' ' 5' ' ' ARG . 90.0 p -135.83 147.3 48.23 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.336 -0.847 . . . . 1.08 109.232 175.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.413 ' O ' ' HA ' ' A' ' 3' ' ' GLU . 38.5 p90 -141.45 150.25 42.03 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.66 -0.416 . . . . 0.41 111.156 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -104.33 147.03 27.97 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.405 -0.816 . . . . 3.07 109.36 174.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.6 mt -107.33 130.69 54.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.102 0.477 . . . . 1.04 112.023 -175.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.401 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 52.2 m-20 -89.96 166.63 19.66 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.419 -0.809 . . . . 1.87 108.945 172.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.401 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 10.4 Cg_exo -72.2 1.16 6.32 Favored 'Trans proline' 0 N--CA 1.464 -0.234 0 C-N-CA 123.183 2.588 . . . . 1.62 112.485 -177.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -99.25 -0.75 40.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.224 -0.444 . . . . 2.43 110.345 175.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.66 24.86 57.72 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 111.102 -0.799 . . . . 1.08 111.102 -175.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.496 ' HA ' ' CE ' ' A' ' 65' ' ' MET . 9.5 mmt -87.88 146.07 25.75 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 109.687 -0.486 . . . . 2.74 109.687 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.27 106.83 13.19 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.168 0.509 . . . . 0.54 109.984 -173.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.15 118.31 34.48 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.904 -0.589 . . . . 0.71 110.267 -177.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.54 HD11 ' HB2' ' A' ' 56' ' ' PHE . 30.7 tp -72.28 114.22 10.17 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.802 -0.635 . . . . 1.18 110.558 -175.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.412 HG23 ' HA ' ' A' ' 58' ' ' PHE . 18.7 t -85.25 -57.75 4.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.815 -0.63 . . . . 1.01 110.137 -177.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.1 p -140.08 148.38 41.66 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.894 -0.594 . . . . 0.42 109.677 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.728 HG23 ' HB3' ' A' ' 56' ' ' PHE . 13.8 p -146.79 123.54 3.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.315 0.579 . . . . 0.32 110.568 173.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -112.95 131.95 22.55 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 115.782 -0.645 . . . . 0.29 110.095 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.593 ' HA ' HG12 ' A' ' 54' ' ' VAL . 55.5 Cg_exo -52.52 114.61 1.75 Allowed 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.826 2.351 . . . . 0.81 111.95 177.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.604 ' H ' ' HA ' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -88.46 174.47 8.1 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.758 -0.655 . . . . 1.08 110.493 -179.617 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.1 m . . . . . 0 C--N 1.312 -1.036 0 CA-C-N 114.808 -1.087 . . . . 1.64 108.398 175.437 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo . . . . . 0 C--O 1.236 0.412 0 CA-C-O 121.186 0.411 . . . . 0.95 112.875 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.405 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 33.4 tt0 -112.38 133.06 54.68 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.313 -0.625 . . . . 1.13 109.313 -179.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.493 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 91.7 m-70 -134.1 159.46 40.77 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.345 -0.242 . . . . 0.55 110.345 -174.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.793 ' HG2' ' HB3' ' A' ' 57' ' ' SER . 50.6 mtt-85 -107.27 158.9 16.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.755 0.312 . . . . 2.51 111.176 178.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -158.87 153.73 24.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.611 -0.722 . . . . 0.41 110.168 177.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.475 ' O ' ' HG3' ' A' ' 23' ' ' GLU . 29.1 m -117.75 147.48 21.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.604 -0.517 . . . . 0.24 109.604 173.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -169.19 176.17 43.34 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 119.867 -1.158 . . . . 0.28 113.097 -176.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -110.52 129.89 55.69 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.196 -1.038 . . . . 3.19 108.196 175.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.606 HD11 HG21 ' A' ' 54' ' ' VAL . 41.7 mm -60.3 128.09 20.81 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-O 121.126 0.489 . . . . 0.23 110.814 -176.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -88.68 -43.81 11.04 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.438 -0.801 . . . . 1.13 109.496 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.0 t -172.45 158.02 4.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.903 -0.589 . . . . 0.75 110.49 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.826 HG23 HD22 ' A' ' 18' ' ' LEU . 71.5 mt -107.59 134.0 50.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.986 -0.552 . . . . 0.77 110.123 178.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.8 -159.45 20.58 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.126 -0.559 . . . . 1.06 112.418 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.69 -45.77 42.18 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.442 0.639 . . . . 2.51 109.764 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.01 15.05 1.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.056 -0.975 . . . . 3.93 110.738 -177.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.567 ' HB2' ' HG2' ' A' ' 36' ' ' GLU . 3.2 p -157.27 142.88 17.43 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.712 -0.676 . . . . 0.94 109.693 179.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.826 HD22 HG23 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -125.63 141.13 52.18 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 120.518 -0.473 . . . . 1.03 110.052 -177.749 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.642 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 21.5 mt -88.7 128.58 40.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 108.933 -0.765 . . . . 0.56 108.933 178.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 56.4 mt -126.36 125.52 67.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.592 -0.276 . . . . 0.21 110.693 -177.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.93 91.24 3.01 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.947 -0.76 . . . . 0.22 108.947 172.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -95.98 159.93 14.72 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.75 -0.659 . . . . 0.27 110.583 -177.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 7' ' ' VAL . 1.3 pp20? -65.7 -165.69 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.412 -0.813 . . . . 3.05 111.364 175.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.593 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -61.95 -38.81 89.91 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.334 0.494 . . . . 1.5 112.334 -172.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.425 HD12 ' CE3' ' A' ' 30' ' ' TRP . 18.1 mt 70.72 83.49 0.16 Allowed Pre-proline 0 C--N 1.318 -0.774 0 CA-C-N 115.797 -0.638 . . . . 0.63 110.322 -172.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -70.26 -2.03 9.86 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 123.228 2.618 . . . . 0.97 111.383 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.493 ' CB ' ' HB3' ' A' ' 4' ' ' HIS . 16.4 m -89.6 -21.49 22.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.239 -0.891 . . . . 1.1 110.821 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.27 1.72 9.1 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.064 -0.255 . . . . 0.89 111.658 -176.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 64.7 32.72 11.04 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.366 0.416 . . . . 2.21 111.301 177.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.425 ' CE3' HD12 ' A' ' 25' ' ' ILE . 53.5 m0 -95.16 173.05 7.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.332 -0.395 . . . . 1.02 110.268 177.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -125.02 42.71 1.48 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.451 -0.881 . . . . 1.67 113.381 -175.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.593 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 66.3 114.08 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.012 0.525 . . . . 0.57 112.364 175.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 19.9 ptt? -163.02 158.07 21.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.119 -0.491 . . . . 0.84 110.834 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.97 104.4 8.51 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 115.73 -0.668 . . . . 0.75 110.983 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 30.2 ttm -120.02 141.99 49.22 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.084 -0.507 . . . . 1.6 111.59 -176.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.642 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 39.8 tt0 -94.02 121.47 35.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.336 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -102.01 136.35 41.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.197 -0.456 . . . . 0.37 110.386 -177.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.89 136.63 40.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.048 -0.524 . . . . 0.34 110.671 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.84 140.42 77.73 Favored Pre-proline 0 C--O 1.235 0.335 0 CA-C-O 120.874 0.368 . . . . 0.6 111.421 -177.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 45.5 Cg_endo -68.78 159.67 52.79 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.744 2.296 . . . . 1.1 111.407 175.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 40' ' ' PRO . 34.4 Cg_exo -59.5 -17.17 39.68 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 123.061 2.508 . . . . 2.05 113.01 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.0 -14.72 53.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.566 -0.288 . . . . 1.33 111.67 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.82 178.43 34.98 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.656 -0.783 . . . . 0.93 111.997 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -96.95 139.63 21.66 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-O 120.991 0.424 . . . . 0.97 110.848 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.488 ' HD2' HD21 ' A' ' 48' ' ' LEU . 51.0 Cg_exo -59.81 -178.59 0.18 Allowed 'Trans proline' 0 CA--C 1.519 -0.259 0 C-N-CA 123.927 3.085 . . . . 0.69 113.482 170.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.932 HE21 ' HA ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -114.47 112.5 23.09 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 114.745 -1.116 . . . . 2.12 109.585 177.541 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 135.71 27.07 0.45 Allowed Glycine 0 C--N 1.31 -0.874 0 CA-C-N 114.703 -1.135 . . . . 0.63 111.633 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.488 HD21 ' HD2' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -135.35 48.98 2.21 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 111.886 0.328 . . . . 1.06 111.886 -176.633 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.586 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 7.7 ptpp? -95.71 167.89 11.0 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.016 -0.364 . . . . 3.0 110.016 -177.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.86 112.0 0.5 Allowed 'General case' 0 C--O 1.233 0.193 0 O-C-N 123.324 0.39 . . . . 0.37 111.202 176.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 110.08 -13.72 31.42 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.849 -0.691 . . . . 0.38 112.928 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.461 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 94.8 m-20 -83.22 140.69 32.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 117.003 0.402 . . . . 0.53 110.183 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.504 ' HB3' ' HG2' ' A' ' 74' ' ' GLN . 0.4 OUTLIER -97.55 123.55 41.48 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.594 -0.521 . . . . 3.26 109.594 174.892 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.671 HG12 ' HA ' ' A' ' 73' ' ' PRO . 15.0 m -128.33 151.39 35.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-O 121.042 0.449 . . . . 0.3 111.448 -176.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.97 123.13 48.63 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.621 -0.881 . . . . 0.16 108.621 174.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.634 ' HB3' HG23 ' A' ' 71' ' ' VAL . 17.8 p90 -141.71 172.43 12.7 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.917 0.71 . . . . 0.36 112.917 -168.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.793 ' HB3' ' HG2' ' A' ' 5' ' ' ARG . 12.4 p -131.46 144.78 51.41 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 114.776 -1.102 . . . . 1.08 109.504 173.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -130.39 148.61 52.23 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.232 -0.44 . . . . 0.41 109.972 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 59' ' ' ARG . 22.6 ttp180 -114.77 118.63 34.13 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.986 -0.552 . . . . 3.07 109.864 -178.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.437 HD23 ' O ' ' A' ' 65' ' ' MET . 14.6 mt -89.58 141.6 28.45 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 115.63 -0.714 . . . . 1.04 110.292 -178.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.535 ' CG ' ' HG2' ' A' ' 65' ' ' MET . 8.1 p-10 -103.36 169.64 7.16 Favored Pre-proline 0 C--N 1.316 -0.858 0 N-CA-C 109.68 -0.489 . . . . 1.87 109.68 173.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.409 ' CD ' ' HB2' ' A' ' 61' ' ' ASP . 17.4 Cg_exo -65.22 -11.59 30.79 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.879 2.386 . . . . 1.62 111.747 -179.017 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -85.21 -26.97 26.41 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.315 -0.624 . . . . 2.43 109.315 -178.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.01 30.21 5.52 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.337 -0.847 . . . . 1.08 112.723 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.535 ' HG2' ' CG ' ' A' ' 61' ' ' ASP . 25.4 ptm -102.57 139.69 37.83 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.246 -0.65 . . . . 2.74 109.246 176.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -106.38 102.87 12.24 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.341 0.591 . . . . 0.54 109.599 -177.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.79 133.56 42.93 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.594 -0.73 . . . . 0.71 110.238 -175.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 26.3 tp -76.0 121.33 22.57 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.114 -0.494 . . . . 1.18 109.859 -178.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.3 t -89.12 -63.14 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.357 0.599 . . . . 1.01 110.044 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.4 p -144.91 144.24 30.98 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.348 -0.842 . . . . 0.42 109.646 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.634 HG23 ' HB3' ' A' ' 56' ' ' PHE . 9.4 p -141.14 129.01 22.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 109.77 -0.456 . . . . 0.32 109.77 178.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -120.66 127.36 26.3 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 116.094 -0.503 . . . . 0.29 110.128 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.671 ' HA ' HG12 ' A' ' 54' ' ' VAL . 60.8 Cg_exo -52.5 122.15 10.31 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.596 2.197 . . . . 0.81 111.539 177.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.504 ' HG2' ' HB3' ' A' ' 53' ' ' ARG . 0.6 OUTLIER -103.74 176.58 5.1 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.378 -0.601 . . . . 1.08 109.378 -178.092 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.2 m . . . . . 0 C--N 1.31 -1.151 0 CA-C-N 115.453 -0.794 . . . . 1.64 109.132 -179.509 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo . . . . . 0 C--O 1.235 0.359 0 CA-C-O 120.946 0.311 . . . . 0.95 112.646 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.477 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 35.9 tt0 -91.8 132.33 36.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.812 -0.631 . . . . 1.13 110.324 -179.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.476 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 79.8 m-70 -128.33 163.37 24.95 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.687 -0.486 . . . . 0.55 109.687 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.61 ' HD2' ' HB3' ' A' ' 57' ' ' SER . 18.8 mmm180 -95.77 147.39 23.68 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.519 -0.178 . . . . 2.51 110.519 179.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.421 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . . . -154.72 147.12 23.97 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.328 0.585 . . . . 0.41 111.446 176.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.0 m -119.91 158.14 21.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.507 -0.769 . . . . 0.24 110.287 173.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.685 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 172.35 -168.36 41.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.409 -0.9 . . . . 0.28 112.712 178.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 53' ' ' ARG . 27.1 ttp180 -112.32 134.73 53.69 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.69 -0.485 . . . . 3.19 109.69 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.628 HD11 ' CG2' ' A' ' 54' ' ' VAL . 36.3 mm -66.88 132.41 32.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 N-CA-C 109.948 -0.39 . . . . 0.23 109.948 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -96.9 -48.69 5.33 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.289 -0.634 . . . . 1.13 109.289 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.0 m -159.98 146.49 15.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.759 -0.655 . . . . 0.75 109.984 174.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.732 HG23 HD22 ' A' ' 18' ' ' LEU . 22.9 mt -102.99 134.61 43.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.443 -0.344 . . . . 0.77 110.147 175.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -111.96 -175.16 19.81 Favored Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 111.535 -0.626 . . . . 1.06 111.535 175.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -83.93 -16.96 42.3 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.959 0.409 . . . . 2.51 110.705 -177.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -146.82 -6.73 0.5 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.95 -0.568 . . . . 3.93 111.938 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 p -155.33 140.05 17.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.809 0.338 . . . . 0.94 110.63 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.732 HD22 HG23 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -123.04 130.4 52.75 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.898 -0.592 . . . . 1.03 109.939 -177.677 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 58.1 mt -82.48 123.08 38.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 109.036 -0.727 . . . . 0.56 109.036 174.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.419 ' HB ' ' CE1' ' A' ' 37' ' ' PHE . 78.9 mt -128.35 132.46 68.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.944 0.402 . . . . 0.21 110.853 -177.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.01 89.52 7.62 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 109.311 -0.626 . . . . 0.22 109.311 172.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.685 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 26.4 p80 -85.68 156.01 20.84 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.424 -0.807 . . . . 0.27 109.848 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -70.99 -158.95 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.3 -0.259 . . . . 3.05 110.3 176.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.405 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -57.72 -47.29 82.83 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.555 0.576 . . . . 1.5 112.555 -172.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.487 HG22 ' H ' ' A' ' 28' ' ' ALA . 16.3 mt 68.72 92.61 0.06 OUTLIER Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 120.969 0.414 . . . . 0.63 110.981 -174.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -65.48 -35.35 39.34 Favored 'Trans proline' 0 CA--C 1.527 0.15 0 C-N-CA 122.614 2.209 . . . . 0.97 112.47 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.476 ' HB2' ' HB3' ' A' ' 4' ' ' HIS . 4.9 m -66.99 -25.45 66.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.478 -0.328 . . . . 1.1 111.663 -176.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.487 ' H ' HG22 ' A' ' 25' ' ' ILE . . . -107.34 -2.51 20.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.871 0.367 . . . . 0.89 110.707 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 55.16 39.87 31.59 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.517 -0.765 . . . . 2.21 111.387 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.404 ' CH2' HD21 ' A' ' 60' ' ' LEU . 39.7 m0 -94.97 173.8 7.41 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.873 -0.603 . . . . 1.02 110.202 177.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.08 39.31 2.04 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.799 -0.715 . . . . 1.67 112.156 -177.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.405 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 70.04 123.34 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.42 0.688 . . . . 0.57 111.634 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 21.9 ptt? -172.09 154.35 3.39 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.151 -0.477 . . . . 0.84 110.751 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.28 106.15 5.78 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 115.909 -0.587 . . . . 0.75 110.998 178.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.4 mmm -118.44 156.79 28.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.363 -0.38 . . . . 1.6 110.924 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -97.94 125.12 42.7 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.536 -0.757 . . . . 1.0 110.017 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.839 ' HB3' ' HG ' ' A' ' 68' ' ' LEU . 74.4 m-85 -104.84 130.02 53.05 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.721 -0.672 . . . . 0.37 110.531 -178.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.83 139.49 41.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.244 -0.435 . . . . 0.34 110.335 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.35 144.66 28.31 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.418 -0.356 . . . . 0.6 110.977 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -61.9 149.45 90.15 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.475 2.117 . . . . 1.1 110.981 172.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -57.27 -20.33 38.63 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.072 2.515 . . . . 2.05 113.175 -176.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.75 -22.93 61.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.482 -0.326 . . . . 1.33 111.344 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.41 171.48 32.05 Favored Glycine 0 N--CA 1.442 -0.963 0 C-N-CA 120.623 -0.798 . . . . 0.93 112.259 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.452 HD21 HD21 ' A' ' 18' ' ' LEU . 2.5 mm? -91.8 152.2 42.91 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-O 120.725 0.297 . . . . 0.97 110.779 -176.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 6.6 Cg_exo -74.5 -165.96 0.3 Allowed 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 123.04 2.493 . . . . 0.69 111.641 172.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.7 160.78 20.24 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.124 -0.489 . . . . 2.12 110.463 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.61 13.1 65.74 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.778 -0.725 . . . . 0.63 111.807 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.508 ' O ' HD11 ' A' ' 13' ' ' ILE . 0.9 OUTLIER -136.52 45.13 2.34 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.363 0.601 . . . . 1.06 110.55 -178.729 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.605 ' HG3' ' OD2' ' A' ' 52' ' ' ASP . 4.5 pttp -96.11 -178.32 4.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.392 -0.822 . . . . 3.0 110.741 -174.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.03 117.2 1.99 Allowed 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.302 -0.408 . . . . 0.37 111.86 -178.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.69 -20.63 29.26 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.883 -0.599 . . . . 0.38 112.712 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.605 ' OD2' ' HG3' ' A' ' 49' ' ' LYS . 8.8 m-20 -79.93 159.9 26.17 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.461 0.648 . . . . 0.53 111.437 -176.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.412 ' HD3' ' HA ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -110.05 121.25 44.83 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.093 -0.958 . . . . 3.26 109.198 177.499 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.628 ' CG2' HD11 ' A' ' 10' ' ' ILE . 12.5 m -130.26 150.44 34.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.281 0.563 . . . . 0.3 112.058 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.49 118.93 38.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.282 -0.872 . . . . 0.16 108.803 175.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.704 ' HB3' HG23 ' A' ' 71' ' ' VAL . 27.1 p90 -136.09 167.49 21.16 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.258 0.836 . . . . 0.36 113.258 -168.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.61 ' HB3' ' HD2' ' A' ' 5' ' ' ARG . 73.0 p -121.4 142.14 50.29 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 114.925 -1.034 . . . . 1.08 109.228 170.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -144.43 160.33 41.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.395 -0.366 . . . . 0.41 110.029 -177.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.477 ' HA ' ' HA ' ' A' ' 3' ' ' GLU . 7.6 mtm180 -104.48 162.16 13.48 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.468 -0.493 . . . . 3.07 109.84 176.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.438 ' HA ' ' O ' ' A' ' 65' ' ' MET . 13.3 mt -109.85 116.36 31.51 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.819 -0.628 . . . . 1.04 110.267 170.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.584 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 28.8 m-20 -82.86 168.01 25.85 Favored Pre-proline 0 C--N 1.318 -0.784 0 N-CA-C 108.493 -0.928 . . . . 1.87 108.493 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.49 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 52.9 Cg_exo -55.08 -23.39 35.48 Favored 'Trans proline' 0 CA--C 1.535 0.535 0 C-N-CA 122.737 2.291 . . . . 1.62 114.53 -168.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -88.59 -9.85 50.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.997 0.427 . . . . 2.43 111.168 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.28 28.49 9.12 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.482 -1.047 . . . . 1.08 110.482 -172.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.584 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 80.9 mtp -88.91 146.46 24.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.919 -0.64 . . . . 2.74 110.123 -177.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.448 ' O ' ' HA ' ' A' ' 37' ' ' PHE . . . -108.94 121.16 44.54 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.261 -0.427 . . . . 0.54 110.654 -176.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.8 t -120.21 126.05 49.67 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 110.005 -0.369 . . . . 0.71 110.005 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.839 ' HG ' ' HB3' ' A' ' 37' ' ' PHE . 61.6 mt -72.11 141.73 49.17 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.897 0.38 . . . . 1.18 110.523 -177.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.9 t -111.72 -54.75 4.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-N 115.889 -0.596 . . . . 1.01 109.708 177.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.0 p -146.29 143.38 29.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.593 -0.731 . . . . 0.42 109.819 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.704 HG23 ' HB3' ' A' ' 56' ' ' PHE . 10.4 p -142.04 132.95 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.338 0.589 . . . . 0.32 111.406 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.86 132.7 24.25 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.822 -0.627 . . . . 0.29 110.245 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.602 ' HA ' HG12 ' A' ' 54' ' ' VAL . 48.5 Cg_exo -58.72 127.67 25.33 Favored 'Trans proline' 0 CA--C 1.528 0.202 0 C-N-CA 122.954 2.436 . . . . 0.81 112.279 178.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.502 ' HG2' ' C ' ' A' ' 54' ' ' VAL . 1.1 pt20 -118.77 175.2 5.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.797 -0.638 . . . . 1.08 109.934 -178.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.6 m . . . . . 0 C--N 1.315 -0.904 0 CA-C-N 115.343 -0.844 . . . . 1.64 109.015 179.513 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo . . . . . 0 C--O 1.235 0.341 0 CA-C-O 120.88 0.283 . . . . 0.95 112.403 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -86.74 130.71 34.37 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.091 -0.504 . . . . 1.13 110.441 -177.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.437 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 49.1 m-70 -128.15 150.69 49.88 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.226 -1.028 . . . . 0.55 108.226 177.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.522 ' HG2' ' HB3' ' A' ' 57' ' ' SER . 39.9 mtp180 -97.25 155.45 16.86 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.344 -0.543 . . . . 2.51 111.688 178.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.444 ' HB3' ' CE1' ' A' ' 56' ' ' PHE . . . -159.75 159.49 32.84 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.323 -0.853 . . . . 0.41 110.662 176.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.559 ' HB ' HE22 ' A' ' 74' ' ' GLN . 29.9 m -123.42 146.86 28.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.626 -0.716 . . . . 0.24 109.375 172.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.687 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -169.22 178.22 42.51 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.045 -1.074 . . . . 0.28 112.868 -179.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -112.16 135.8 52.36 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.856 -0.424 . . . . 3.19 109.856 -178.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.463 HD11 HG21 ' A' ' 54' ' ' VAL . 29.0 mm -71.93 135.3 28.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 116.227 -0.442 . . . . 0.23 110.818 -177.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.609 HE21 ' HB2' ' A' ' 21' ' ' ALA . 83.0 mm-40 -95.71 -46.0 6.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.954 -0.567 . . . . 1.13 109.824 174.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.0 m -159.39 159.25 33.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.58 -0.736 . . . . 0.75 110.128 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.892 HD11 ' HA ' ' A' ' 49' ' ' LYS . 54.1 mt -115.05 143.8 24.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.14 0.495 . . . . 0.77 111.374 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.445 ' H ' ' HB3' ' A' ' 18' ' ' LEU . . . -133.34 176.99 19.32 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 110.498 -1.041 . . . . 1.06 110.498 173.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -65.89 -49.74 66.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.192 0.496 . . . . 2.51 111.341 -178.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.46 4.05 5.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.333 -0.394 . . . . 3.93 111.841 -174.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.3 p -155.6 143.48 19.81 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.075 0.464 . . . . 0.94 110.51 172.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.674 HD21 ' HG ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -150.05 155.04 39.18 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.778 -0.647 . . . . 1.03 110.472 -178.156 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.3 mt -97.15 128.52 48.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.304 -0.407 . . . . 0.56 110.702 -173.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.401 ' HB ' ' CE1' ' A' ' 37' ' ' PHE . 73.9 mt -129.55 127.97 65.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.143 -0.48 . . . . 0.21 110.853 -178.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.609 ' HB2' HE21 ' A' ' 11' ' ' GLN . . . -86.7 91.07 8.49 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.806 -0.813 . . . . 0.22 108.806 173.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.687 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 24.9 p80 -84.83 154.02 22.58 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.519 -0.764 . . . . 0.27 110.875 -176.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -66.15 -166.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.56 -0.745 . . . . 3.05 110.985 175.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.483 ' O ' ' HB2' ' A' ' 30' ' ' TRP . . . -56.33 -46.73 79.77 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.883 -0.598 . . . . 1.5 112.174 -176.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.467 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 27.6 mt 75.18 92.44 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.176 -0.465 . . . . 0.63 110.866 -177.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.77 -9.18 22.28 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.499 2.133 . . . . 0.97 112.19 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.437 ' HB3' ' HB3' ' A' ' 4' ' ' HIS . 49.9 m -80.08 -19.37 47.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.967 -0.56 . . . . 1.1 110.865 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.97 -9.53 7.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.89 111.44 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 64.76 34.09 9.79 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.231 -0.44 . . . . 2.21 111.15 -178.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.483 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 53.2 m0 -84.48 173.92 10.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.069 -0.514 . . . . 1.02 110.202 177.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.81 36.93 3.07 Favored Glycine 0 C--N 1.323 -0.193 0 C-N-CA 120.622 -0.799 . . . . 1.67 112.99 -176.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.472 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 69.02 128.8 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.263 0.625 . . . . 0.57 111.794 178.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 19.2 ptt? -171.73 146.47 2.12 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.915 -0.584 . . . . 0.84 111.045 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.585 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 21.0 m -75.05 108.66 7.93 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.388 -0.824 . . . . 0.75 110.277 178.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.2 mmm -127.03 158.23 37.49 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.157 -0.474 . . . . 1.6 111.56 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -90.71 136.82 32.82 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.345 -0.843 . . . . 1.0 109.872 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.401 ' CE1' ' HB ' ' A' ' 20' ' ' ILE . 62.6 m-85 -115.32 138.83 50.55 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.195 -0.457 . . . . 0.37 109.84 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.82 132.23 42.75 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.82 -0.627 . . . . 0.34 110.219 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.06 155.86 37.74 Favored Pre-proline 0 C--N 1.316 -0.864 0 CA-C-N 116.2 -0.454 . . . . 0.6 110.35 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.55 159.53 53.14 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.539 2.16 . . . . 1.1 111.047 173.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -57.66 -15.51 20.98 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.034 2.489 . . . . 2.05 112.939 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.72 -36.35 78.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.474 . . . . 1.33 110.852 177.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.38 166.87 33.91 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.949 -0.644 . . . . 0.93 112.852 177.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.674 ' HG ' HD21 ' A' ' 18' ' ' LEU . 2.5 mm? -95.71 149.98 36.79 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-O 120.642 0.258 . . . . 0.97 111.029 -177.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -78.52 -164.14 0.26 Allowed 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.427 2.085 . . . . 0.69 111.741 172.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.451 HE21 ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -103.64 177.51 4.82 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.577 -0.527 . . . . 2.12 109.577 173.084 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.11 10.34 62.62 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.546 -0.835 . . . . 0.63 111.511 -177.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.508 ' HB3' HG11 ' A' ' 54' ' ' VAL . 1.7 pp -143.7 47.84 1.44 Allowed 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 122.665 0.386 . . . . 1.06 111.417 -176.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.892 ' HA ' HD11 ' A' ' 13' ' ' ILE . 9.3 ptpp? -94.21 167.02 11.82 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.541 -0.464 . . . . 3.0 110.237 -172.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.93 106.54 0.1 Allowed 'General case' 0 C--O 1.234 0.252 0 O-C-N 123.447 0.467 . . . . 0.37 111.221 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.84 -21.93 7.37 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.964 -0.636 . . . . 0.38 112.494 -177.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.505 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 7.0 m-20 -79.86 153.78 28.83 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 120.936 0.398 . . . . 0.53 110.577 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.454 HH11 ' HD2' ' A' ' 53' ' ' ARG . 6.2 ttt180 -111.84 119.37 38.35 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.243 -1.021 . . . . 3.26 108.243 172.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.508 HG11 ' HB3' ' A' ' 48' ' ' LEU . 5.0 m -120.59 155.02 23.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 121.097 0.475 . . . . 0.3 111.679 -172.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.16 130.14 55.49 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.63 -0.878 . . . . 0.16 108.63 175.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.664 ' HB3' HG23 ' A' ' 71' ' ' VAL . 49.6 p90 -148.6 170.23 18.56 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.018 -0.673 . . . . 0.36 112.758 -168.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.522 ' HB3' ' HG2' ' A' ' 5' ' ' ARG . 80.5 p -128.78 137.39 51.51 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 114.834 -1.075 . . . . 1.08 109.045 171.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -134.89 154.21 51.76 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.14 -0.482 . . . . 0.41 110.228 -176.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.507 ' HG3' HG21 ' A' ' 69' ' ' VAL . 47.3 mtm-85 -103.89 124.64 49.33 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 120.734 0.302 . . . . 3.07 110.197 178.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.417 HD23 ' O ' ' A' ' 65' ' ' MET . 13.9 mt -89.46 110.88 21.66 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-N 115.907 -0.588 . . . . 1.04 109.968 176.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.402 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 52.8 m-20 -79.07 161.4 68.4 Favored Pre-proline 0 C--N 1.315 -0.924 0 N-CA-C 108.939 -0.763 . . . . 1.87 108.939 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -67.02 1.3 2.94 Favored 'Trans proline' 0 CA--C 1.528 0.192 0 C-N-CA 123.223 2.616 . . . . 1.62 114.317 -166.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -104.41 -8.25 19.3 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.042 0.449 . . . . 2.43 110.656 178.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.66 33.81 6.27 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.593 -0.813 . . . . 1.08 111.209 -176.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.417 ' O ' HD23 ' A' ' 60' ' ' LEU . 26.1 mmt -97.48 145.78 25.87 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.23 -0.656 . . . . 2.74 109.23 178.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.18 97.4 6.04 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.197 -0.668 . . . . 0.54 109.197 -174.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.7 m -101.45 115.66 31.01 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.519 -0.764 . . . . 0.71 110.699 -175.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.7 tp -72.03 122.07 20.27 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.199 -0.909 . . . . 1.18 110.862 -174.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.507 HG21 ' HG3' ' A' ' 59' ' ' ARG . 25.0 t -94.94 -56.65 5.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.849 -0.614 . . . . 1.01 110.226 -178.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.85 135.64 22.23 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.635 -0.711 . . . . 0.42 110.8 -176.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.664 HG23 ' HB3' ' A' ' 56' ' ' PHE . 7.5 p -138.1 135.77 44.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.018 0.437 . . . . 0.32 110.808 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -124.26 146.19 50.93 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.96 -0.564 . . . . 0.29 110.374 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.412 ' HA ' HG12 ' A' ' 54' ' ' VAL . 31.8 Cg_endo -66.99 114.73 3.28 Favored 'Trans proline' 0 N--CA 1.46 -0.441 0 C-N-CA 122.212 1.941 . . . . 0.81 112.62 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.559 HE22 ' HB ' ' A' ' 7' ' ' VAL . 10.5 pt20 -109.44 179.05 4.25 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.884 -0.784 . . . . 1.08 108.884 174.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.312 -1.022 0 N-CA-C 108.801 -0.815 . . . . 1.64 108.801 -176.671 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo . . . . . 0 C--O 1.236 0.406 0 N-CA-C 113.38 0.492 . . . . 0.95 113.38 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.418 ' CB ' ' HG2' ' A' ' 59' ' ' ARG . 34.6 tt0 -100.96 122.1 42.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.296 -0.866 . . . . 1.13 110.04 -179.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -118.3 143.44 46.6 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.249 -0.648 . . . . 0.55 109.249 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.717 ' HG2' ' HB3' ' A' ' 57' ' ' SER . 95.9 mtt180 -95.31 157.2 16.0 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.776 0.322 . . . . 2.51 110.714 177.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -159.71 152.63 21.71 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.842 -0.617 . . . . 0.41 110.89 176.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.465 HG12 ' HA ' ' A' ' 55' ' ' ALA . 27.6 m -121.97 146.02 27.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 116.036 -0.529 . . . . 0.24 109.962 173.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.503 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -177.39 -178.15 46.81 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.474 -0.869 . . . . 0.28 112.226 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.507 ' HA ' ' HA ' ' A' ' 53' ' ' ARG . 45.0 ttp180 -106.99 139.51 41.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.039 0.447 . . . . 3.19 110.211 -177.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.547 HD11 ' CG2' ' A' ' 54' ' ' VAL . 29.3 mm -71.87 133.32 32.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.559 -0.746 . . . . 0.23 110.867 -178.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.759 HE21 ' HB2' ' A' ' 21' ' ' ALA . 83.6 mm-40 -89.93 -42.68 11.05 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.798 -0.637 . . . . 1.13 109.859 176.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.0 t -173.07 160.06 4.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.689 -0.687 . . . . 0.75 109.786 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.632 HD11 ' HA ' ' A' ' 49' ' ' LYS . 87.8 mt -109.11 133.38 54.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.168 -0.469 . . . . 0.77 110.314 178.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.98 -142.2 12.8 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.624 -0.716 . . . . 1.06 111.872 176.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -113.87 -32.79 5.98 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.309 -0.626 . . . . 2.51 109.309 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -137.53 3.31 2.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.526 -0.761 . . . . 3.93 111.199 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.8 p -157.2 160.93 39.2 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.317 -0.623 . . . . 0.94 109.317 172.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.479 ' HB3' ' HA ' ' A' ' 13' ' ' ILE . 0.7 OUTLIER -149.84 151.37 33.41 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.019 0.437 . . . . 1.03 111.522 179.683 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.571 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 18.6 mt -92.8 129.83 42.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.54 -0.755 . . . . 0.56 110.802 -172.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.9 mt -130.19 129.78 65.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.085 0.469 . . . . 0.21 111.346 -178.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.759 ' HB2' HE21 ' A' ' 11' ' ' GLN . . . -86.27 93.74 9.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.901 -0.59 . . . . 0.22 109.884 173.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.503 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 24.3 p80 -91.81 155.38 18.27 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.79 -0.641 . . . . 0.27 110.692 -175.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -69.74 -168.95 0.21 Allowed 'General case' 0 C--O 1.241 0.641 0 CA-C-N 116.022 -0.536 . . . . 3.05 111.356 177.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.446 ' HA ' ' H ' ' A' ' 32' ' ' ALA . . . -76.05 73.0 2.92 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.968 -0.56 . . . . 1.5 111.58 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.618 HG22 ' H ' ' A' ' 28' ' ' ALA . 42.5 mt -47.95 102.87 0.33 Allowed Pre-proline 0 C--N 1.32 -0.712 0 O-C-N 124.234 0.959 . . . . 0.63 112.287 176.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -73.22 -18.2 23.74 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.816 2.344 . . . . 0.97 111.374 176.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.3 m -69.91 -41.47 74.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.296 -0.866 . . . . 1.1 111.364 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.618 ' H ' HG22 ' A' ' 25' ' ' ILE . . . -110.95 2.31 18.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.492 -0.322 . . . . 0.89 111.265 -177.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 66.31 30.03 9.2 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.809 -0.632 . . . . 2.21 110.657 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.479 ' HB2' ' HB ' ' A' ' 25' ' ' ILE . 44.6 m0 -93.08 110.06 21.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.342 -0.39 . . . . 1.02 110.258 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.66 65.67 4.03 Favored Glycine 0 C--N 1.32 -0.316 0 CA-C-N 115.937 -0.574 . . . . 1.67 113.221 -172.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.446 ' H ' ' HA ' ' A' ' 24' ' ' ALA . . . 55.98 93.2 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.316 0.646 . . . . 0.57 112.502 175.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 22.6 ptt? -153.0 149.61 28.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.061 0.458 . . . . 0.84 111.059 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.456 HG23 ' HG3' ' A' ' 11' ' ' GLN . 23.4 m -74.66 110.33 8.86 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.019 -0.991 . . . . 0.75 110.032 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 44.0 tpp -128.6 148.2 50.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.08 -0.509 . . . . 1.6 110.706 -178.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.571 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 35.0 tt0 -94.85 133.37 38.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.799 0.333 . . . . 1.0 110.16 178.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -112.5 142.32 45.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.236 -0.438 . . . . 0.37 110.56 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.439 ' HB3' HG23 ' A' ' 67' ' ' THR . . . -80.85 141.96 34.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.427 -0.351 . . . . 0.34 110.761 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.83 141.14 67.91 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.276 -0.42 . . . . 0.6 111.503 -178.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.31 158.88 52.79 Favored 'Trans proline' 0 C--O 1.236 0.4 0 C-N-CA 122.707 2.271 . . . . 1.1 111.533 175.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -63.14 -13.83 37.93 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.778 2.319 . . . . 2.05 112.984 -177.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.58 -14.13 52.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.356 -0.383 . . . . 1.33 111.584 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.44 174.52 35.61 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.913 -0.66 . . . . 0.93 112.186 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -93.9 139.33 22.63 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.905 0.383 . . . . 0.97 111.268 -178.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.637 ' HD2' HD21 ' A' ' 48' ' ' LEU . 57.0 Cg_endo -81.94 -167.18 0.46 Allowed 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 123.106 2.537 . . . . 0.69 111.878 171.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.693 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 0.9 OUTLIER -110.31 158.88 17.94 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.692 -0.686 . . . . 2.12 110.156 176.827 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.83 11.72 45.83 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.264 -0.493 . . . . 0.63 112.557 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.647 HD23 HG11 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -129.3 46.66 2.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.84 0.352 . . . . 1.06 111.542 -177.879 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.632 ' HA ' HD11 ' A' ' 13' ' ' ILE . 88.0 mttt -95.19 171.24 8.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.104 0.478 . . . . 3.0 111.984 -174.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.02 107.66 0.15 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.994 -1.003 . . . . 0.37 111.177 177.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.68 -17.06 18.52 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.76 -0.733 . . . . 0.38 112.537 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.485 ' O ' HG12 ' A' ' 10' ' ' ILE . 11.6 m-20 -85.65 145.36 27.35 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.058 -0.349 . . . . 0.53 110.058 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.507 ' HA ' ' HA ' ' A' ' 9' ' ' ARG . 13.8 ttt180 -108.67 117.69 34.84 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 109.532 -0.544 . . . . 3.26 109.532 175.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.792 HG12 ' HA ' ' A' ' 73' ' ' PRO . 3.6 m -116.25 160.68 15.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.839 -0.618 . . . . 0.3 111.327 -174.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.465 ' HA ' HG12 ' A' ' 7' ' ' VAL . . . -110.24 118.36 36.14 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.853 -0.795 . . . . 0.16 108.853 175.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.753 ' HB3' HG23 ' A' ' 71' ' ' VAL . 38.2 p90 -136.52 167.23 21.75 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.731 0.641 . . . . 0.36 112.731 -169.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.717 ' HB3' ' HG2' ' A' ' 5' ' ' ARG . 28.0 p -130.11 139.25 50.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.197 -0.91 . . . . 1.08 109.635 173.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -138.49 151.74 47.65 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.262 -0.426 . . . . 0.41 110.624 -176.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.617 ' HG3' HG21 ' A' ' 69' ' ' VAL . 56.1 mtt180 -109.32 137.8 46.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.996 0.427 . . . . 3.07 110.895 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.566 HD22 ' HA ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -102.53 145.26 29.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.446 -0.797 . . . . 1.04 110.327 -179.71 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -97.99 169.13 8.88 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 108.806 -0.812 . . . . 1.87 108.806 173.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.7 -12.94 33.87 Favored 'Trans proline' 0 C--N 1.334 -0.208 0 C-N-CA 123.069 2.513 . . . . 1.62 112.993 -178.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -85.55 -26.82 25.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.82 0.343 . . . . 2.43 110.362 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.34 26.48 5.94 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 1.08 112.106 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.8 mmt -95.89 153.18 17.89 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.702 -0.481 . . . . 2.74 109.702 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.566 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -120.77 119.73 33.58 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.943 0.401 . . . . 0.54 110.738 -171.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.439 HG23 ' HB3' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -121.01 125.37 47.17 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.997 -0.547 . . . . 0.71 110.903 -178.454 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.419 HD11 ' HB2' ' A' ' 56' ' ' PHE . 58.9 tp -75.47 134.39 40.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.221 -0.445 . . . . 1.18 110.648 -176.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.617 HG21 ' HG3' ' A' ' 59' ' ' ARG . 25.0 t -105.01 -54.78 6.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.992 -0.549 . . . . 1.01 110.478 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -147.12 142.17 27.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.703 -0.68 . . . . 0.42 110.844 -177.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.753 HG23 ' HB3' ' A' ' 56' ' ' PHE . 14.8 p -138.32 136.86 44.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.126 0.489 . . . . 0.32 110.201 178.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -120.01 124.77 27.67 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 116.123 -0.49 . . . . 0.29 110.342 177.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.792 ' HA ' HG12 ' A' ' 54' ' ' VAL . 33.5 Cg_exo -59.37 103.2 0.17 Allowed 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.779 2.319 . . . . 0.81 111.781 176.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.419 HE22 ' HB ' ' A' ' 7' ' ' VAL . 15.5 pt20 -103.91 178.75 4.47 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.353 -0.84 . . . . 1.08 109.742 -178.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.312 -1.03 0 CA-C-O 121.482 0.658 . . . . 1.64 110.519 -171.901 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.448 ' O ' ' HA ' ' A' ' 59' ' ' ARG . 28.1 Cg_exo . . . . . 0 C--O 1.236 0.377 0 CA-C-O 121.032 0.346 . . . . 0.95 112.463 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.469 ' HA ' ' O ' ' A' ' 58' ' ' PHE . 22.9 tt0 -90.13 130.42 36.29 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.671 -0.695 . . . . 1.13 110.417 179.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.454 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 79.9 m-70 -119.72 142.62 48.35 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.471 -0.566 . . . . 0.55 109.471 177.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.532 ' HD3' ' HB3' ' A' ' 57' ' ' SER . 13.8 mmt180 -78.68 138.89 38.5 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.292 -0.262 . . . . 2.51 110.292 176.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.65 133.9 17.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.203 0.525 . . . . 0.41 111.408 -178.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.493 ' HB ' HE22 ' A' ' 74' ' ' GLN . 31.2 m -122.41 152.46 26.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 109.599 -0.519 . . . . 0.24 109.599 175.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.633 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -178.29 -166.25 34.31 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 119.821 -1.18 . . . . 0.28 113.498 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -118.26 128.89 55.11 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.173 -0.677 . . . . 3.19 109.173 -176.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.631 HD11 HG21 ' A' ' 54' ' ' VAL . 41.7 mm -66.09 130.63 31.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.813 0.34 . . . . 0.23 110.53 -176.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.5 ' HG2' HG21 ' A' ' 34' ' ' THR . 3.5 tp-100 -92.34 -52.14 4.81 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.771 -0.65 . . . . 1.13 109.527 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.4 m -160.77 150.19 17.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.858 -0.61 . . . . 0.75 109.828 176.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.704 HD11 ' HA ' ' A' ' 49' ' ' LYS . 72.4 mt -98.51 142.39 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 0.77 110.879 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' A' ' 17' ' ' SER . . . -105.82 -139.07 9.49 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.844 -0.616 . . . . 1.06 112.365 178.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -104.08 -44.43 5.0 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.888 0.851 . . . . 2.51 108.956 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.42 12.68 1.19 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.293 -1.322 . . . . 3.93 109.527 -178.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.419 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 35.8 p -154.85 154.23 32.4 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.075 -1.084 . . . . 0.94 108.075 173.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.841 HD21 ' HG ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -151.86 152.86 33.15 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 120.98 0.419 . . . . 1.03 111.327 -177.59 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.633 HG22 HG22 ' A' ' 34' ' ' THR . 14.0 mt -93.59 131.27 41.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.356 -0.838 . . . . 0.56 110.077 -174.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 68.3 mt -131.42 128.97 61.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.011 0.434 . . . . 0.21 111.29 -177.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.625 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -77.69 90.67 4.0 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.969 -0.752 . . . . 0.22 108.969 169.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.633 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 24.4 p80 -87.67 157.59 19.05 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.02 -0.536 . . . . 0.27 110.863 -178.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -63.71 -169.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.473 -0.785 . . . . 3.05 111.433 175.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.608 ' HA ' ' H ' ' A' ' 32' ' ' ALA . . . -58.24 -49.74 76.04 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.882 -0.599 . . . . 1.5 111.815 -176.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.415 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 31.0 mt 73.67 87.27 0.09 OUTLIER Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.858 -0.61 . . . . 0.63 110.581 -177.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.7 -23.06 63.63 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.929 2.419 . . . . 0.97 112.502 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.454 ' HB3' ' HB3' ' A' ' 4' ' ' HIS . 8.0 t -76.85 -12.73 60.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.831 0.348 . . . . 1.1 110.885 -178.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.54 -9.2 8.49 Favored 'General case' 0 C--N 1.33 -0.283 0 C-N-CA 121.103 -0.239 . . . . 0.89 111.236 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 66.72 30.96 7.85 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.941 -0.572 . . . . 2.21 111.176 178.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.413 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 46.4 m0 -88.6 174.07 8.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.979 -0.555 . . . . 1.02 110.094 178.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.64 48.5 0.97 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.549 -0.834 . . . . 1.67 113.199 -174.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.608 ' H ' ' HA ' ' A' ' 24' ' ' ALA . . . 59.39 92.43 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.458 0.54 . . . . 0.57 112.458 174.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 20.9 ptt? -146.79 152.94 39.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.278 -0.419 . . . . 0.84 110.908 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.633 HG22 HG22 ' A' ' 19' ' ' ILE . 13.9 m -75.17 108.78 8.15 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.615 -0.72 . . . . 0.75 110.823 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.7 mmm -126.48 156.31 40.9 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.095 -0.502 . . . . 1.6 111.155 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.576 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 72.4 tt0 -97.41 141.54 30.36 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.41 -178.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -120.63 131.87 54.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.306 -0.406 . . . . 0.37 109.991 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.54 128.72 37.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.317 -0.401 . . . . 0.34 110.768 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.67 165.81 13.99 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.346 -0.388 . . . . 0.6 110.537 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 31.6 Cg_exo -60.17 152.46 65.8 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.195 1.93 . . . . 1.1 111.178 171.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 40' ' ' PRO . 51.5 Cg_exo -55.42 -15.57 11.94 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 123.131 2.554 . . . . 2.05 113.299 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.93 -39.15 73.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 1.33 111.262 174.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.31 174.23 20.49 Favored Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.785 -0.722 . . . . 0.93 112.059 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.841 ' HG ' HD21 ' A' ' 18' ' ' LEU . 3.7 mm? -92.0 156.38 42.35 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-O 120.765 0.317 . . . . 0.97 111.047 -178.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -74.69 -163.57 0.19 Allowed 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.794 2.329 . . . . 0.69 112.033 172.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.668 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -117.88 148.3 42.27 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.257 -0.883 . . . . 2.12 110.494 -178.487 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.76 18.04 12.28 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 111.579 -0.608 . . . . 0.63 111.579 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.682 ' HB3' HG11 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -134.31 55.52 1.89 Allowed 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.053 0.454 . . . . 1.06 111.208 -177.156 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.704 ' HA ' HD11 ' A' ' 13' ' ' ILE . 7.1 ptpp? -94.27 168.7 10.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.302 -0.408 . . . . 3.0 110.099 -174.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.4 106.8 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.414 0.446 . . . . 0.37 110.69 176.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.61 -16.0 12.63 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.928 -0.654 . . . . 0.38 112.877 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.582 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 17.4 m-20 -80.34 156.2 26.85 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 117.313 0.556 . . . . 0.53 111.026 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.3 ttt85 -110.17 120.43 42.43 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.75 -0.659 . . . . 3.26 109.414 174.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.682 HG11 ' HB3' ' A' ' 48' ' ' LEU . 13.2 m -125.63 156.82 35.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.823 -0.626 . . . . 0.3 111.073 -176.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.413 ' HA ' HG12 ' A' ' 7' ' ' VAL . . . -114.46 124.8 52.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.671 -0.695 . . . . 0.16 109.189 175.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.445 ' HA ' ' O ' ' A' ' 70' ' ' THR . 11.0 p90 -140.66 178.44 7.33 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.217 0.532 . . . . 0.36 111.759 -174.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.602 ' C ' HG22 ' A' ' 69' ' ' VAL . 1.3 p -134.67 -178.78 5.23 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 108.621 -0.881 . . . . 1.08 108.621 166.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.469 ' O ' ' HA ' ' A' ' 3' ' ' GLU . 33.4 p90 -170.46 158.56 6.51 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.957 -0.386 . . . . 0.41 109.957 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.448 ' HA ' ' O ' ' A' ' 2' ' ' PRO . 28.6 mtm-85 -110.87 134.15 52.78 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.889 -0.411 . . . . 3.07 109.889 178.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 60' ' ' LEU . 10.1 mt -93.03 113.07 25.23 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.959 -0.386 . . . . 1.04 109.959 174.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -83.01 164.24 47.26 Favored Pre-proline 0 C--N 1.315 -0.907 0 CA-C-N 115.919 -0.582 . . . . 1.87 109.496 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -71.07 0.93 5.86 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.899 2.399 . . . . 1.62 112.527 -172.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -101.12 -4.55 27.1 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.049 -0.523 . . . . 2.43 110.499 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.29 32.81 15.69 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 110.922 -0.871 . . . . 1.08 110.922 -177.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 24.6 mmt -95.6 141.89 28.56 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.788 -0.449 . . . . 2.74 109.788 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -110.94 97.01 6.5 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.49 -0.929 . . . . 0.54 108.49 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.8 m -105.86 112.53 25.63 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.514 -0.766 . . . . 0.71 110.806 -171.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.401 HD12 ' O ' ' A' ' 57' ' ' SER . 25.7 tp -65.71 139.94 58.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.391 -0.822 . . . . 1.18 110.109 -176.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.602 HG22 ' C ' ' A' ' 57' ' ' SER . 13.6 m -109.43 -59.07 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 CA-C-N 116.473 -0.331 . . . . 1.01 111.217 -178.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.598 ' H ' HG23 ' A' ' 69' ' ' VAL . 1.7 p -146.63 131.55 18.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.668 -0.242 . . . . 0.42 110.471 177.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.3 p -128.27 133.22 67.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 O-C-N 123.522 0.513 . . . . 0.32 109.748 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -131.48 134.21 25.32 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 116.405 -0.362 . . . . 0.29 110.598 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.574 ' HA ' HG12 ' A' ' 54' ' ' VAL . 54.1 Cg_exo -53.73 123.43 13.38 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.928 2.418 . . . . 0.81 111.816 176.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.493 HE22 ' HB ' ' A' ' 7' ' ' VAL . 10.7 pt20 -123.24 177.56 5.52 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.232 -0.44 . . . . 1.08 110.244 -177.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.0 t . . . . . 0 C--N 1.32 -0.682 0 N-CA-C 108.851 -0.796 . . . . 1.64 108.851 -174.787 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo . . . . . 0 C--O 1.235 0.371 0 CA-C-O 121.009 0.337 . . . . 0.95 112.583 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -90.89 131.75 36.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.678 -0.692 . . . . 1.13 109.969 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.411 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 80.0 m-70 -127.91 150.73 49.75 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.326 -0.62 . . . . 0.55 109.326 -179.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.568 ' HG2' ' HB3' ' A' ' 57' ' ' SER . 78.2 mtt180 -104.99 151.72 23.59 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.958 -0.297 . . . . 2.51 110.736 176.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.482 ' CB ' HG12 ' A' ' 25' ' ' ILE . . . -156.56 152.23 27.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.713 -0.676 . . . . 0.41 110.007 177.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.765 ' HB ' HE22 ' A' ' 74' ' ' GLN . 30.1 m -122.12 158.58 25.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 120.97 0.414 . . . . 0.24 110.355 174.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 172.78 -146.38 9.06 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.116 -1.04 . . . . 0.28 112.53 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.445 ' HA ' ' HA ' ' A' ' 53' ' ' ARG . 11.4 ttm180 -129.6 137.85 50.93 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.695 -0.483 . . . . 3.19 109.695 -175.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.698 HD11 HG21 ' A' ' 54' ' ' VAL . 50.7 mm -69.01 117.72 12.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 109.744 -0.465 . . . . 0.23 109.744 177.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.502 ' HG2' HG21 ' A' ' 34' ' ' THR . 8.3 tp-100 -83.75 -50.05 8.51 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.98 -0.554 . . . . 1.13 109.542 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.1 m -161.02 141.8 11.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.908 -0.587 . . . . 0.75 110.667 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.505 HG23 HD22 ' A' ' 18' ' ' LEU . 57.8 mt -90.77 131.39 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.334 -0.617 . . . . 0.77 109.334 171.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.91 -161.68 17.64 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.278 -0.487 . . . . 1.06 113.005 -176.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.815 ' HG3' ' HG3' ' A' ' 16' ' ' ARG . 9.3 pt-20 -69.09 -43.62 74.15 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 122.761 0.424 . . . . 2.51 112.05 -176.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.815 ' HG3' ' HG3' ' A' ' 15' ' ' GLU . 3.0 ppt_? -143.46 17.42 1.86 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.331 0.586 . . . . 3.93 110.269 -177.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.635 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 3.0 p -158.36 166.41 32.35 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 115.156 -0.929 . . . . 0.94 109.039 -175.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.556 HD21 ' HG ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -133.61 131.43 39.62 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 109.111 -0.7 . . . . 1.03 109.111 171.714 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.839 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 4.3 mp -78.27 124.56 36.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 108.526 -0.916 . . . . 0.56 108.526 177.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 69.2 mt -126.41 123.64 63.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.826 0.346 . . . . 0.21 111.276 -174.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.747 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -71.37 95.42 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.442 -0.577 . . . . 0.22 109.442 170.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.0 p80 -101.67 155.31 18.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.272 -0.422 . . . . 0.27 110.826 -176.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.613 ' HG3' ' O ' ' A' ' 7' ' ' VAL . 1.8 pp20? -70.08 -165.15 0.09 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.41 -0.814 . . . . 3.05 111.194 174.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.58 -15.58 62.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.915 0.709 . . . . 1.5 112.915 -171.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.482 HG12 ' CB ' ' A' ' 6' ' ' ALA . 42.5 mt 63.26 85.61 0.16 Allowed Pre-proline 0 C--N 1.322 -0.598 0 CA-C-O 121.074 0.464 . . . . 0.63 110.668 178.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -68.19 -9.07 24.67 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.433 2.089 . . . . 0.97 112.247 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.411 ' HB2' ' HB3' ' A' ' 4' ' ' HIS . 15.0 m -87.79 -20.21 26.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.132 -0.486 . . . . 1.1 111.331 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.92 -4.81 8.02 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.234 0.457 . . . . 0.89 112.234 -176.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 58.02 63.57 1.74 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.483 0.658 . . . . 2.21 110.475 -178.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.467 ' CZ2' HD11 ' A' ' 60' ' ' LEU . 18.7 m0 -116.08 176.41 5.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.094 -0.957 . . . . 1.02 110.416 -177.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.447 ' O ' ' HG2' ' A' ' 33' ' ' MET . . . -101.25 159.16 18.77 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.345 -0.931 . . . . 1.67 111.336 170.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.66 126.62 30.16 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.985 -0.376 . . . . 0.57 109.985 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.447 ' HG2' ' O ' ' A' ' 31' ' ' GLY . 4.5 ptt? -171.64 152.3 3.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.081 -0.509 . . . . 0.84 111.256 -174.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.747 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 22.6 m -82.02 107.79 15.0 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.307 -0.86 . . . . 0.75 109.915 177.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 41.6 ttm -131.54 147.5 52.54 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.211 -0.449 . . . . 1.6 111.126 -178.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.839 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 40.5 tt0 -76.75 138.73 40.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.33 -0.85 . . . . 1.0 111.564 -179.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -119.57 128.23 53.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.881 -0.6 . . . . 0.37 109.695 173.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.635 ' HA ' ' HB3' ' A' ' 17' ' ' SER . . . -76.75 144.96 38.9 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.904 -0.589 . . . . 0.34 110.596 -175.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.63 147.17 34.61 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-O 120.525 0.202 . . . . 0.6 110.956 -177.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 68' ' ' LEU . 50.0 Cg_endo -69.81 159.09 54.66 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.456 2.104 . . . . 1.1 111.006 173.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -57.19 -21.83 45.21 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.801 2.334 . . . . 2.05 112.502 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.91 -41.08 91.88 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.98 -0.554 . . . . 1.33 111.531 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.95 178.93 17.82 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.978 -0.63 . . . . 0.93 112.075 -178.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.556 ' HG ' HD21 ' A' ' 18' ' ' LEU . 2.4 mm? -103.07 148.55 35.79 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 120.502 0.192 . . . . 0.97 110.555 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.615 ' HD2' HD21 ' A' ' 48' ' ' LEU . 13.0 Cg_exo -70.63 -163.19 0.11 Allowed 'Trans proline' 0 CA--C 1.528 0.182 0 C-N-CA 123.242 2.628 . . . . 0.69 112.006 172.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -113.44 154.86 26.3 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.967 -0.56 . . . . 2.12 110.114 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.13 27.45 20.91 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.656 -0.783 . . . . 0.63 112.348 175.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.615 HD21 ' HD2' ' A' ' 45' ' ' PRO . 1.2 pp -139.32 45.68 1.95 Allowed 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 120.945 0.403 . . . . 1.06 111.527 -177.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -97.08 173.41 7.27 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.899 -0.32 . . . . 3.0 110.326 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.07 115.07 0.9 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.207 0.527 . . . . 0.37 111.767 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.81 -21.63 12.31 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 115.69 -0.686 . . . . 0.38 112.606 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -79.34 138.34 37.66 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 121.012 0.434 . . . . 0.53 110.53 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.445 ' HA ' ' HA ' ' A' ' 9' ' ' ARG . 34.6 mtt180 -92.46 124.24 36.36 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 108.569 -0.9 . . . . 3.26 108.569 171.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.698 HG21 HD11 ' A' ' 10' ' ' ILE . 15.6 m -126.36 151.22 32.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-O 121.132 0.491 . . . . 0.3 111.758 -176.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.464 ' HA ' HG12 ' A' ' 7' ' ' VAL . . . -109.45 122.53 47.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.169 -0.923 . . . . 0.16 108.684 173.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.68 ' HB3' HG23 ' A' ' 71' ' ' VAL . 51.2 p90 -140.67 170.24 16.13 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.061 0.763 . . . . 0.36 113.061 -168.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.568 ' HB3' ' HG2' ' A' ' 5' ' ' ARG . 36.6 p -132.81 144.76 50.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.863 -1.062 . . . . 1.08 109.498 173.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.512 ' HA ' HG23 ' A' ' 69' ' ' VAL . 42.7 p90 -142.85 157.15 44.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.674 0.273 . . . . 0.41 110.793 -176.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.412 ' HG3' ' CG2' ' A' ' 69' ' ' VAL . 57.8 mtm-85 -107.97 139.63 42.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.311 -0.404 . . . . 3.07 110.166 177.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.467 HD11 ' CZ2' ' A' ' 30' ' ' TRP . 13.3 mt -103.79 121.83 43.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.592 -0.277 . . . . 1.04 111.532 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.408 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 21.8 m-20 -82.76 164.24 47.8 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.14 -0.689 . . . . 1.87 109.14 174.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.408 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 6.7 Cg_exo -73.44 1.79 6.42 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 123.093 2.529 . . . . 1.62 111.956 -176.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -94.6 -14.83 24.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.682 -0.69 . . . . 2.43 109.685 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.95 26.38 10.45 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 110.893 -0.883 . . . . 1.08 110.893 -173.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 87.0 mmm -98.8 137.87 36.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.526 -0.337 . . . . 2.74 110.111 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -117.7 104.47 11.02 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.897 -0.592 . . . . 0.54 109.469 -176.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.89 122.35 45.6 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.021 -0.536 . . . . 0.71 110.587 -176.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.42 HD11 ' HB2' ' A' ' 56' ' ' PHE . 60.5 tp -68.98 126.45 29.83 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.002 -0.999 . . . . 1.18 110.725 -177.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.512 HG23 ' HA ' ' A' ' 58' ' ' PHE . 39.0 t -91.47 -58.36 3.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.114 -0.494 . . . . 1.01 110.116 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.0 p -146.67 147.22 30.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.398 -0.819 . . . . 0.42 109.935 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.68 HG23 ' HB3' ' A' ' 56' ' ' PHE . 7.9 p -144.96 134.45 18.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.889 0.376 . . . . 0.32 110.357 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -128.64 137.39 30.84 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.076 -0.511 . . . . 0.29 110.298 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.401 ' HA ' HG12 ' A' ' 54' ' ' VAL . 20.1 Cg_endo -60.52 132.18 41.98 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.698 2.266 . . . . 0.81 112.191 179.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.765 HE22 ' HB ' ' A' ' 7' ' ' VAL . 10.4 pt20 -127.22 178.49 6.0 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.584 -0.734 . . . . 1.08 110.121 -177.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.2 t . . . . . 0 C--N 1.32 -0.676 0 N-CA-C 108.037 -1.097 . . . . 1.64 108.037 -174.348 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo . . . . . 0 C--O 1.234 0.31 0 CA-C-O 121.188 0.412 . . . . 0.95 112.719 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -105.47 116.49 32.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.512 -0.767 . . . . 1.13 109.96 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 64.7 m-70 -113.29 165.3 12.56 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.431 -0.581 . . . . 0.55 109.431 -179.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.512 ' HA ' ' HA ' ' A' ' 57' ' ' SER . 96.9 mtt180 -108.27 155.96 19.9 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.818 0.342 . . . . 2.51 110.724 177.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.406 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . . . -155.25 148.55 24.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.018 -0.537 . . . . 0.41 110.826 177.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.437 ' HB ' HE22 ' A' ' 74' ' ' GLN . 26.9 m -118.84 152.46 21.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.036 -0.529 . . . . 0.24 109.719 173.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.448 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 178.4 -157.99 22.28 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 119.846 -1.168 . . . . 0.28 113.255 178.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.434 ' HA ' ' HD3' ' A' ' 53' ' ' ARG . 14.8 ttm-85 -118.25 132.91 56.28 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.787 -0.449 . . . . 3.19 109.787 -176.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.664 HD11 HG21 ' A' ' 54' ' ' VAL . 52.0 mm -68.44 121.35 17.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 C-N-CA 120.506 -0.478 . . . . 0.23 109.723 176.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -87.67 -50.54 6.43 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.978 -0.555 . . . . 1.13 109.684 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.9 m -161.35 149.67 15.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.169 -0.469 . . . . 0.75 109.909 175.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.717 HG23 HD22 ' A' ' 18' ' ' LEU . 65.6 mt -95.46 127.82 47.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.877 0.37 . . . . 0.77 110.152 175.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -99.8 -155.07 28.14 Favored Glycine 0 CA--C 1.511 -0.161 0 CA-C-N 116.055 -0.521 . . . . 1.06 113.177 -176.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -76.52 -46.34 26.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.385 0.612 . . . . 2.51 110.187 -178.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.16 14.28 1.85 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.208 -0.906 . . . . 3.93 110.307 178.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.869 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 5.5 p -154.85 146.75 23.49 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.872 -0.603 . . . . 0.94 109.663 -179.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.717 HD22 HG23 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -121.71 136.41 54.94 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 109.368 -0.604 . . . . 1.03 109.368 -178.596 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.746 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 17.5 mt -82.0 129.98 36.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 108.683 -0.858 . . . . 0.56 108.683 177.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.1 mt -129.64 127.18 64.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.222 -0.445 . . . . 0.21 110.832 -175.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.48 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -77.46 91.13 3.88 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.159 -0.682 . . . . 0.22 109.159 171.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.448 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 26.4 p80 -89.48 155.08 19.53 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.961 -0.563 . . . . 0.27 110.242 -178.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.39 -165.16 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.973 -0.558 . . . . 3.05 111.505 178.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.611 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -58.62 -47.82 83.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.795 -0.639 . . . . 1.5 111.666 -176.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.504 HG22 ' H ' ' A' ' 28' ' ' ALA . 20.0 mt 74.41 91.41 0.06 OUTLIER Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.83 -0.623 . . . . 0.63 110.855 -177.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.65 -2.42 12.64 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.647 2.231 . . . . 0.97 111.137 175.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.424 ' HB3' ' HB3' ' A' ' 4' ' ' HIS . 4.7 m -78.56 -29.15 46.16 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.087 -0.961 . . . . 1.1 110.613 178.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.504 ' H ' HG22 ' A' ' 25' ' ' ILE . . . -123.17 -4.12 8.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.89 111.226 -178.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 65.16 51.3 1.67 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.383 0.611 . . . . 2.21 111.353 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 49.3 m0 -104.79 174.47 5.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.519 -0.764 . . . . 1.02 110.053 175.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -122.2 41.58 1.81 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.7 -0.762 . . . . 1.67 113.188 -176.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.611 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 69.52 112.38 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.527 0.68 . . . . 0.57 111.853 175.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 24.5 ptp -157.03 151.66 25.56 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.902 -0.59 . . . . 0.84 110.47 -176.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.48 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 32.7 m -88.62 106.52 18.37 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.911 -0.586 . . . . 0.75 110.259 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 77.7 mtp -120.15 163.12 18.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.528 -0.76 . . . . 1.6 111.335 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.746 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 35.3 tt0 -99.54 133.3 44.06 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.25 178.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -112.62 120.74 42.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.727 0.298 . . . . 0.37 110.414 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.869 ' HA ' ' HB3' ' A' ' 17' ' ' SER . . . -76.28 136.6 39.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.924 -0.58 . . . . 0.34 110.646 -178.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.84 153.53 37.68 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.553 -0.294 . . . . 0.6 110.394 -177.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 26.0 Cg_endo -62.96 151.09 86.39 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.159 1.906 . . . . 1.1 110.675 171.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 40' ' ' PRO . 38.9 Cg_exo -57.87 -11.95 10.89 Favored 'Trans proline' 0 N--CA 1.474 0.341 0 C-N-CA 123.086 2.524 . . . . 2.05 112.515 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.81 -26.87 67.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.768 -0.651 . . . . 1.33 111.03 176.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 99.85 171.53 30.16 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.994 -0.622 . . . . 0.93 113.355 174.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.502 ' HG ' HD11 ' A' ' 18' ' ' LEU . 2.9 mm? -96.92 150.26 36.66 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 120.904 0.383 . . . . 0.97 111.062 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.726 ' HD2' HD21 ' A' ' 48' ' ' LEU . 6.0 Cg_exo -73.79 -165.41 0.25 Allowed 'Trans proline' 0 CA--C 1.52 -0.221 0 C-N-CA 123.627 2.884 . . . . 0.69 111.801 170.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.641 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 0.6 OUTLIER -110.21 154.06 23.9 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.397 -0.82 . . . . 2.12 110.11 179.21 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.16 20.49 20.52 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.765 -0.731 . . . . 0.63 111.961 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.726 HD21 ' HD2' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -136.87 47.47 2.14 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.876 0.37 . . . . 1.06 111.699 -177.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.575 ' HG2' ' OD2' ' A' ' 52' ' ' ASP . 9.8 ptpp? -95.61 169.21 10.19 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.608 -0.516 . . . . 3.0 109.608 -177.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.24 113.93 1.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.83 0.347 . . . . 0.37 110.727 178.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.56 -23.22 10.44 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.918 -0.658 . . . . 0.38 112.497 -177.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.575 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 8.7 m-20 -74.14 155.09 38.79 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 121.645 0.735 . . . . 0.53 110.902 -177.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.434 ' HD3' ' HA ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -110.69 116.61 31.61 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.109 -0.95 . . . . 3.26 108.474 174.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.664 HG21 HD11 ' A' ' 10' ' ' ILE . 15.6 m -124.19 150.42 28.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-O 121.046 0.451 . . . . 0.3 111.442 -174.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.31 120.23 41.9 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.588 -0.893 . . . . 0.16 108.588 174.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.532 ' HB3' HG23 ' A' ' 71' ' ' VAL . 47.7 p90 -139.19 171.71 13.89 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.799 0.666 . . . . 0.36 112.799 -169.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.512 ' HA ' ' HA ' ' A' ' 5' ' ' ARG . 44.5 p -126.01 147.67 49.48 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.842 -1.072 . . . . 1.08 109.318 175.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.467 ' HA ' HG23 ' A' ' 69' ' ' VAL . 30.3 p90 -147.56 155.39 41.79 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.66 0.266 . . . . 0.41 110.827 -177.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -104.38 160.64 14.74 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.944 -0.391 . . . . 3.07 109.944 175.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.456 ' HA ' ' O ' ' A' ' 65' ' ' MET . 18.2 mt -125.53 114.41 18.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.942 -0.572 . . . . 1.04 110.656 173.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.712 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 59.9 m-20 -79.97 164.66 51.74 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 108.607 -0.886 . . . . 1.87 108.607 176.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.417 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 16.9 Cg_exo -67.85 0.97 3.67 Favored 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 122.898 2.399 . . . . 1.62 113.524 -170.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -105.25 -8.25 18.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.215 0.531 . . . . 2.43 110.562 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.09 31.45 7.27 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.498 -0.774 . . . . 1.08 111.281 -175.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.712 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 82.7 mmm -87.81 124.12 33.3 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.92 -0.4 . . . . 2.74 109.92 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -106.61 107.2 18.1 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.947 -0.569 . . . . 0.54 109.628 -175.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.1 120.74 43.44 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.088 -0.505 . . . . 0.71 110.873 -175.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.33 116.67 14.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.773 -0.649 . . . . 1.18 109.367 -178.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.467 HG23 ' HA ' ' A' ' 58' ' ' PHE . 24.0 t -88.21 -66.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.03 0.443 . . . . 1.01 110.436 -177.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.4 p -138.0 143.54 40.67 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.029 -0.532 . . . . 0.42 109.94 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.532 HG23 ' HB3' ' A' ' 56' ' ' PHE . 7.3 p -135.81 129.97 48.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.057 0.456 . . . . 0.32 110.232 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -118.44 139.06 26.4 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 116.11 -0.495 . . . . 0.29 110.23 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -64.06 107.7 0.83 Allowed 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.539 2.16 . . . . 0.81 112.374 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.437 HE22 ' HB ' ' A' ' 7' ' ' VAL . 8.8 pt20 -99.94 178.56 4.77 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.502 -0.925 . . . . 1.08 108.502 174.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.8 p . . . . . 0 C--N 1.308 -1.199 0 CA-C-O 121.735 0.778 . . . . 1.64 109.555 -176.408 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo . . . . . 0 C--O 1.233 0.247 0 CA-C-O 121.247 0.436 . . . . 0.95 112.892 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -90.86 129.73 36.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.462 -0.79 . . . . 1.13 110.289 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.448 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 89.1 m-70 -125.88 141.66 51.88 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.569 -0.287 . . . . 0.55 110.573 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.67 ' HD3' ' OG ' ' A' ' 57' ' ' SER . 46.5 mmt-85 -67.99 145.15 54.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.853 -0.612 . . . . 2.51 110.298 177.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -153.47 136.7 15.67 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 120.728 0.299 . . . . 0.41 110.685 175.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.628 ' HB ' HE22 ' A' ' 74' ' ' GLN . 35.0 m -120.11 152.26 22.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.703 -0.48 . . . . 0.24 109.703 175.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.65 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 178.77 -170.67 42.66 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.331 -0.938 . . . . 0.28 112.544 179.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.4 ttt-85 -116.07 130.52 56.85 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.64 -0.504 . . . . 3.19 109.64 -177.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.527 HD11 HG21 ' A' ' 54' ' ' VAL . 31.0 mm -62.86 134.12 28.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.173 -0.467 . . . . 0.23 110.652 -177.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -99.18 -47.1 5.32 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.0 -0.545 . . . . 1.13 109.831 -178.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.0 m -161.67 151.28 16.5 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.438 -0.578 . . . . 0.75 109.438 176.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.771 HD11 ' HA ' ' A' ' 49' ' ' LYS . 52.5 mt -101.27 137.1 30.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.21 0.528 . . . . 0.77 111.318 178.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.707 ' H ' ' HB3' ' A' ' 18' ' ' LEU . . . -126.64 160.98 21.01 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.999 -0.84 . . . . 1.06 110.999 173.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -62.73 -40.14 96.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.012 0.434 . . . . 2.51 111.944 -175.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.95 -12.64 8.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.275 -0.421 . . . . 3.93 111.706 -176.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.453 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 1.9 p -157.05 141.42 16.55 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.217 -0.447 . . . . 0.94 110.036 178.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.707 ' HB3' ' H ' ' A' ' 14' ' ' GLY . 0.5 OUTLIER -139.27 139.64 37.43 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.025 0.441 . . . . 1.03 110.833 -177.581 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.878 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 15.7 mt -85.05 130.59 35.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.949 -0.569 . . . . 0.56 110.236 -174.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.9 mt -130.04 122.51 54.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.107 -0.497 . . . . 0.21 110.536 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.614 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -74.33 90.9 2.16 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.35 -0.611 . . . . 0.22 109.35 173.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.65 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 26.6 p80 -87.02 155.66 20.07 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.853 -0.612 . . . . 0.27 110.326 -178.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -66.55 -166.35 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.892 -0.594 . . . . 3.05 110.953 177.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.589 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -60.01 -45.47 92.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.981 -0.554 . . . . 1.5 111.242 -179.634 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.544 HG22 ' H ' ' A' ' 28' ' ' ALA . 44.9 mt 74.09 94.21 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.015 -0.539 . . . . 0.63 111.091 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.78 -17.4 29.29 Favored 'Trans proline' 0 CA--C 1.527 0.17 0 C-N-CA 122.431 2.088 . . . . 0.97 111.797 178.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.448 ' CB ' ' HB3' ' A' ' 4' ' ' HIS . 14.6 m -72.29 -29.68 64.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.712 -0.676 . . . . 1.1 111.028 -179.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.544 ' H ' HG22 ' A' ' 25' ' ' ILE . . . -114.02 -1.37 13.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.33 -0.396 . . . . 0.89 110.627 -179.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 59.46 35.44 22.9 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.37 -0.832 . . . . 2.21 111.302 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 47.4 m0 -89.2 173.74 8.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.039 -0.528 . . . . 1.02 110.605 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.32 35.52 3.6 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.701 -0.762 . . . . 1.67 113.232 -176.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.589 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 69.43 127.3 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.281 0.632 . . . . 0.57 112.448 176.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 15.0 ptt? -171.82 147.96 2.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.658 -0.701 . . . . 0.84 110.346 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.614 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 6.7 m -78.51 102.23 7.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.03 -0.532 . . . . 0.75 109.893 179.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 37.9 ttm -123.72 143.9 50.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.364 -0.38 . . . . 1.6 111.352 -174.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.878 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 45.0 tt0 -83.94 133.32 34.71 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.552 -0.749 . . . . 1.0 110.745 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -110.7 145.35 38.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.237 -0.438 . . . . 0.37 110.118 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.638 ' HB3' HG23 ' A' ' 67' ' ' THR . . . -82.68 142.5 31.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.518 -0.31 . . . . 0.34 110.201 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.75 142.51 98.2 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.561 -0.29 . . . . 0.6 111.148 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.19 153.53 52.14 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.717 2.278 . . . . 1.1 111.529 176.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -61.87 -16.12 47.3 Favored 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 122.807 2.338 . . . . 2.05 112.785 -177.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.97 -15.89 31.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.239 -0.437 . . . . 1.33 111.021 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 112.91 -172.55 14.58 Favored Glycine 0 N--CA 1.44 -1.057 0 C-N-CA 120.9 -0.667 . . . . 0.93 111.629 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.1 mt -109.03 137.3 20.1 Favored Pre-proline 0 C--N 1.314 -0.937 0 CA-C-O 121.085 0.469 . . . . 0.97 111.335 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.636 ' HD2' HD21 ' A' ' 48' ' ' LEU . 71.7 Cg_endo -85.47 -166.61 0.35 Allowed 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 123.444 2.763 . . . . 0.69 111.787 173.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.643 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 0.6 OUTLIER -117.47 146.15 43.7 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.45 -0.796 . . . . 2.12 110.183 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.87 15.43 9.29 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.941 -0.647 . . . . 0.63 111.707 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.636 HD21 ' HD2' ' A' ' 45' ' ' PRO . 0.4 OUTLIER -134.05 45.65 2.6 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 111.693 0.256 . . . . 1.06 111.693 -175.794 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.771 ' HA ' HD11 ' A' ' 13' ' ' ILE . 18.6 ptpt -95.61 164.23 12.87 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.304 -0.559 . . . . 3.0 111.134 -175.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.87 110.08 0.32 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.582 -0.735 . . . . 0.37 111.848 -177.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.63 -9.69 12.81 Favored Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.572 -0.823 . . . . 0.38 112.736 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -93.65 157.94 15.93 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 121.09 0.472 . . . . 0.53 111.1 177.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 53' ' ' ARG . 15.9 ttt180 -108.89 127.76 54.32 Favored 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 108.677 -0.861 . . . . 3.26 108.677 171.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.572 ' HA ' ' H ' ' A' ' 74' ' ' GLN . 10.7 m -130.15 154.55 40.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.421 -0.354 . . . . 0.3 110.619 -177.099 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.469 ' HB2' ' HG3' ' A' ' 74' ' ' GLN . . . -108.32 122.36 46.81 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.922 -0.77 . . . . 0.16 108.922 175.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.687 ' HB3' HG23 ' A' ' 71' ' ' VAL . 47.0 p90 -142.1 -177.06 5.05 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.542 -0.299 . . . . 0.36 110.958 -172.093 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.67 ' OG ' ' HD3' ' A' ' 5' ' ' ARG . 28.8 m -139.36 -176.91 4.69 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 109.229 -0.656 . . . . 1.08 109.229 167.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -162.28 158.16 23.86 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 120.709 0.29 . . . . 0.41 110.237 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.401 ' HG3' ' CG1' ' A' ' 69' ' ' VAL . 40.4 mtm180 -105.73 139.49 40.23 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.67 -0.863 . . . . 3.07 108.67 172.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 60' ' ' LEU . 11.4 mt -89.5 115.97 27.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.175 0.512 . . . . 1.04 110.648 178.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 1.009 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 1.4 m-20 -86.55 164.43 37.63 Favored Pre-proline 0 C--N 1.315 -0.916 0 CA-C-N 115.419 -0.81 . . . . 1.87 108.941 178.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.449 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 35.1 Cg_exo -59.99 -18.83 52.5 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 123.214 2.609 . . . . 1.62 114.589 -165.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.484 ' HB2' ' SD ' ' A' ' 65' ' ' MET . 12.3 m-70 -90.67 -1.6 57.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.928 0.394 . . . . 2.43 111.605 -178.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.51 28.62 21.52 Favored Glycine 0 C--N 1.314 -0.678 0 N-CA-C 109.524 -1.43 . . . . 1.08 109.524 -171.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 1.009 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 44.5 mtp -84.04 144.86 28.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.424 -0.888 . . . . 2.74 109.506 -177.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -119.37 97.99 5.93 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.265 -0.643 . . . . 0.54 109.265 -175.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.638 HG23 ' HB3' ' A' ' 38' ' ' ALA . 2.9 m -98.61 118.58 35.64 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 115.381 -0.827 . . . . 0.71 110.616 -175.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 44.5 tp -62.81 127.71 32.51 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.628 -0.715 . . . . 1.18 110.52 -176.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.644 HG22 ' C ' ' A' ' 57' ' ' SER . 15.2 m -97.68 -58.48 3.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.907 -0.588 . . . . 1.01 111.339 -178.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.598 ' H ' HG23 ' A' ' 69' ' ' VAL . 4.2 p -147.33 139.56 24.5 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.574 -0.739 . . . . 0.42 109.318 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.687 HG23 ' HB3' ' A' ' 56' ' ' PHE . 11.5 p -135.42 140.31 45.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.825 0.345 . . . . 0.32 110.408 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -133.84 138.12 30.12 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 116.259 -0.428 . . . . 0.29 110.205 176.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.557 ' HA ' HG12 ' A' ' 54' ' ' VAL . 78.3 Cg_exo -52.5 113.95 1.45 Allowed 'Trans proline' 0 CA--C 1.532 0.415 0 C-N-CA 123.072 2.515 . . . . 0.81 112.691 179.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.628 HE22 ' HB ' ' A' ' 7' ' ' VAL . 0.5 OUTLIER -89.59 173.63 8.21 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.041 -0.527 . . . . 1.08 110.207 178.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.324 -0.507 0 N-CA-C 109.324 -0.621 . . . . 1.64 109.324 174.672 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo . . . . . 0 C--O 1.235 0.34 0 CA-C-O 121.311 0.463 . . . . 0.95 112.973 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 34.5 tt0 -95.83 121.88 38.02 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.059 -0.973 . . . . 1.13 109.597 179.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.421 ' HB3' ' OG ' ' A' ' 27' ' ' SER . 67.0 m-70 -122.97 125.81 45.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.181 -0.463 . . . . 0.55 110.023 -176.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.828 ' HG2' ' HB2' ' A' ' 57' ' ' SER . 75.0 mtt180 -75.42 141.54 43.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.833 0.349 . . . . 2.51 110.726 176.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -146.99 144.47 29.19 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.405 -0.816 . . . . 0.41 110.697 -178.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.6 m -111.97 152.07 13.89 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 115.904 -0.589 . . . . 0.24 110.419 175.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.483 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 178.77 -166.96 37.03 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.373 -0.918 . . . . 0.28 112.301 178.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.421 ' HA ' ' HA ' ' A' ' 53' ' ' ARG . 62.7 ttt180 -123.11 136.1 54.65 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.377 -0.601 . . . . 3.19 109.377 -178.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.659 HD11 HG21 ' A' ' 54' ' ' VAL . 30.9 mm -67.53 133.27 31.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.906 0.384 . . . . 0.23 110.11 -176.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.565 ' HG2' HG21 ' A' ' 34' ' ' THR . 2.9 tp-100 -93.69 -49.72 5.72 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.91 -0.587 . . . . 1.13 109.656 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.556 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 43.5 m -161.66 153.03 18.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.979 -0.555 . . . . 0.75 110.114 177.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.809 HG23 HD22 ' A' ' 18' ' ' LEU . 42.9 mt -99.82 134.03 40.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.733 0.301 . . . . 0.77 110.301 177.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' A' ' 17' ' ' SER . . . -102.29 -150.84 23.34 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 121.249 -0.501 . . . . 1.06 111.958 178.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -100.75 -36.99 8.91 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.409 0.623 . . . . 2.51 109.84 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.21 3.35 2.86 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.305 -0.861 . . . . 3.93 110.55 178.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.4 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 8.3 p -155.29 147.81 24.07 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.587 -0.733 . . . . 0.94 109.711 179.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.809 HD22 HG23 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -124.59 145.95 49.32 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 109.53 -0.544 . . . . 1.03 109.53 179.477 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.626 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 20.3 mt -92.6 129.83 42.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 N-CA-C 109.459 -0.571 . . . . 0.56 109.459 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 54.3 mt -129.47 128.5 66.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.315 -0.402 . . . . 0.21 111.052 -176.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.528 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -77.87 94.41 4.54 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.281 -0.637 . . . . 0.22 109.281 171.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.483 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 25.6 p80 -96.77 153.77 17.68 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.275 -0.42 . . . . 0.27 111.193 -176.271 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -63.59 -169.51 0.03 OUTLIER 'General case' 0 C--O 1.239 0.517 0 CA-C-N 115.249 -0.887 . . . . 3.05 111.381 175.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.554 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -63.85 -32.09 73.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.01 -0.541 . . . . 1.5 111.534 -176.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.452 HD12 ' CE3' ' A' ' 30' ' ' TRP . 52.9 mt 67.86 86.15 0.13 Allowed Pre-proline 0 C--N 1.321 -0.648 0 CA-C-O 121.037 0.446 . . . . 0.63 110.145 -178.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -72.56 -3.18 12.98 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.89 2.393 . . . . 0.97 112.065 -177.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.421 ' OG ' ' HB3' ' A' ' 4' ' ' HIS . 6.1 p -90.82 -21.23 21.59 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.121 -0.49 . . . . 1.1 110.731 178.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -117.42 -7.45 11.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.411 -0.358 . . . . 0.89 111.239 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 62.86 42.26 7.97 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.991 -0.55 . . . . 2.21 111.623 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.452 ' CE3' HD12 ' A' ' 25' ' ' ILE . 48.3 m0 -92.8 173.94 7.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.159 -0.473 . . . . 1.02 109.795 175.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.65 29.38 6.95 Favored Glycine 0 C--N 1.32 -0.354 0 C-N-CA 120.197 -1.001 . . . . 1.67 113.611 -174.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.554 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 68.53 123.79 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.126 0.571 . . . . 0.57 112.05 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 17.2 ptt? -172.14 152.79 2.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.792 -0.64 . . . . 0.84 110.786 -178.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.565 HG21 ' HG2' ' A' ' 11' ' ' GLN . 46.4 m -82.56 105.22 13.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.013 -0.539 . . . . 0.75 110.446 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 81.3 mtp -120.36 164.69 15.95 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 116.082 -0.508 . . . . 1.6 111.88 -177.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.626 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 41.0 tt0 -101.95 131.35 48.4 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.441 -0.799 . . . . 1.0 110.444 179.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -115.41 140.54 49.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.37 110.337 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.63 149.34 27.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.211 -0.45 . . . . 0.34 110.998 -176.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.91 134.77 95.15 Favored Pre-proline 0 C--O 1.236 0.379 0 CA-C-N 116.423 -0.353 . . . . 0.6 111.825 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.411 ' HD3' ' HB3' ' A' ' 68' ' ' LEU . 18.8 Cg_endo -61.28 157.84 38.36 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 123.075 2.517 . . . . 1.1 111.975 175.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -63.9 -8.6 16.29 Favored 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 122.806 2.337 . . . . 2.05 112.958 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.93 -15.86 25.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.477 -0.329 . . . . 1.33 111.502 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.14 174.88 26.44 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 120.942 -0.646 . . . . 0.93 111.545 -177.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.453 HD13 HD21 ' A' ' 18' ' ' LEU . 66.3 mt -104.69 133.52 20.13 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-O 120.88 0.371 . . . . 0.97 111.292 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.494 ' HD2' HD21 ' A' ' 48' ' ' LEU . 84.1 Cg_endo -83.15 -173.09 1.55 Allowed 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 123.496 2.798 . . . . 0.69 111.987 175.124 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -98.48 157.37 16.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.301 -0.409 . . . . 2.12 110.776 172.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.23 14.58 27.99 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.787 -0.721 . . . . 0.63 111.709 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.783 HD23 HG11 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -127.48 46.75 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.761 0.315 . . . . 1.06 111.116 179.569 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.561 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 7.1 ptpp? -95.3 164.4 12.85 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.725 -0.39 . . . . 3.0 110.395 -173.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.556 ' HB2' ' HA ' ' A' ' 12' ' ' SER . . . -54.14 103.17 0.07 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.701 -0.681 . . . . 0.37 110.543 176.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 125.97 -20.67 6.32 Favored Glycine 0 N--CA 1.442 -0.956 0 C-N-CA 120.86 -0.686 . . . . 0.38 112.549 -178.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.532 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 62.8 m-20 -80.49 146.39 31.39 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 116.964 0.382 . . . . 0.53 110.709 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.421 ' HA ' ' HA ' ' A' ' 9' ' ' ARG . 32.8 ttm105 -102.27 122.59 44.51 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.343 -0.614 . . . . 3.26 109.343 172.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.659 HG21 HD11 ' A' ' 10' ' ' ILE . 17.2 m -127.98 153.32 37.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.283 0.563 . . . . 0.3 111.768 -172.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.4 118.92 37.92 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.555 -0.905 . . . . 0.16 108.555 173.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.672 ' HB3' HG23 ' A' ' 71' ' ' VAL . 50.5 p90 -138.3 -179.58 5.88 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.765 0.317 . . . . 0.36 111.176 -171.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.828 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 32.2 t -135.59 -178.28 5.05 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 107.864 -1.161 . . . . 1.08 107.864 168.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -171.66 155.56 4.06 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.785 -0.45 . . . . 0.41 109.785 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 59' ' ' ARG . 8.3 mtm180 -108.62 149.13 29.35 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.928 -0.397 . . . . 3.07 109.928 178.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.43 ' HA ' HD23 ' A' ' 60' ' ' LEU . 10.8 mt -94.73 105.39 17.33 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.956 -0.757 . . . . 1.04 108.956 166.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.652 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 22.1 m-20 -77.61 160.0 75.72 Favored Pre-proline 0 C--N 1.314 -0.953 0 N-CA-C 108.553 -0.906 . . . . 1.87 108.553 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -66.82 1.42 2.76 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 123.205 2.604 . . . . 1.62 113.952 -169.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -102.83 2.84 35.99 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.026 0.441 . . . . 2.43 110.655 176.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.54 34.07 29.47 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.276 -1.13 . . . . 1.08 110.276 -174.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.652 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 92.2 mmm -96.5 147.72 23.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.108 -0.546 . . . . 2.74 110.253 -177.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.94 97.4 5.67 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.631 -0.878 . . . . 0.54 108.631 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.4 m -110.41 123.67 50.31 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.592 -0.731 . . . . 0.71 111.12 -172.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.411 ' HB3' ' HD3' ' A' ' 40' ' ' PRO . 56.6 tp -65.18 136.99 57.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.253 -0.885 . . . . 1.18 109.955 -179.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.613 HG22 ' C ' ' A' ' 57' ' ' SER . 14.1 m -104.44 -57.13 4.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.11 0.481 . . . . 1.01 111.782 -178.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.565 ' H ' HG23 ' A' ' 69' ' ' VAL . 13.8 p -145.42 145.59 31.19 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.822 -0.807 . . . . 0.42 108.822 -178.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.783 HG11 HD23 ' A' ' 48' ' ' LEU . 8.7 p -142.43 137.81 29.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.894 0.378 . . . . 0.32 110.427 -179.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -137.12 137.95 24.2 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.232 -0.44 . . . . 0.29 110.682 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -61.4 126.37 19.09 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.725 2.283 . . . . 0.81 111.716 177.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.525 ' HG2' ' C ' ' A' ' 54' ' ' VAL . 1.8 pt20 -128.27 175.75 8.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.307 0.575 . . . . 1.08 111.154 -176.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.5 m . . . . . 0 C--N 1.319 -0.732 0 CA-C-N 115.629 -0.714 . . . . 1.64 110.928 -176.835 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo . . . . . 0 C--O 1.237 0.457 0 CA-C-O 121.184 0.41 . . . . 0.95 112.816 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.403 ' HB2' ' HG2' ' A' ' 59' ' ' ARG . 55.9 tt0 -99.49 133.88 43.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.613 -0.721 . . . . 1.13 109.921 -178.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.569 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 83.5 m-70 -125.54 148.17 49.0 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.28 -0.267 . . . . 0.55 110.28 -178.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.636 ' HD3' ' HB3' ' A' ' 57' ' ' SER . 26.8 mmt180 -79.69 143.67 34.39 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 110.065 -0.346 . . . . 2.51 110.065 178.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -153.13 139.38 18.44 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.871 0.367 . . . . 0.41 110.741 177.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.529 HG23 ' HG3' ' A' ' 23' ' ' GLU . 28.0 m -117.28 149.23 19.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.458 -0.337 . . . . 0.24 110.233 176.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.445 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -173.56 -166.14 31.41 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.433 -0.889 . . . . 0.28 112.779 177.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -121.25 147.49 45.56 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.167 -0.308 . . . . 3.19 110.167 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.605 HD11 HG21 ' A' ' 54' ' ' VAL . 34.9 mm -83.38 128.97 38.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.455 -0.339 . . . . 0.23 111.415 -178.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 -92.7 -50.82 5.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.0 0.429 . . . . 1.13 110.116 173.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.1 m -160.16 150.57 18.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.788 -0.642 . . . . 0.75 109.934 177.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.671 HD11 ' HA ' ' A' ' 49' ' ' LYS . 76.4 mt -99.25 144.11 12.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.192 -0.458 . . . . 0.77 110.67 -179.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.651 ' H ' ' HB3' ' A' ' 18' ' ' LEU . . . -128.25 160.48 22.02 Favored Glycine 0 N--CA 1.44 -1.051 0 N-CA-C 110.949 -0.86 . . . . 1.06 110.949 175.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -68.55 -33.74 74.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.056 0.455 . . . . 2.51 110.896 -176.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.452 ' H ' ' HD2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -115.5 -25.49 7.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.028 -0.533 . . . . 3.93 110.504 -176.844 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.496 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 17.9 p -158.15 149.05 20.78 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.028 -0.533 . . . . 0.94 110.182 -178.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.651 ' HB3' ' H ' ' A' ' 14' ' ' GLY . 0.7 OUTLIER -140.01 160.16 40.56 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.181 -0.463 . . . . 1.03 110.778 -176.88 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.558 HG22 HG22 ' A' ' 34' ' ' THR . 8.1 mt -103.25 130.92 52.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.218 -0.447 . . . . 0.56 111.024 -173.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.478 HG12 HD13 ' A' ' 10' ' ' ILE . 88.0 mt -132.87 120.91 43.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.288 -0.869 . . . . 0.21 110.475 -178.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.675 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -72.86 91.23 1.5 Allowed 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.133 -0.691 . . . . 0.22 109.133 170.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.445 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 28.8 p80 -84.76 154.26 22.51 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.585 -0.734 . . . . 0.27 110.432 -178.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.529 ' HG3' HG23 ' A' ' 7' ' ' VAL . 5.6 mm-40 -63.94 -170.54 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.395 -0.82 . . . . 3.05 110.326 174.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.77 -43.73 98.27 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.053 -0.521 . . . . 1.5 110.91 -178.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.402 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 51.9 mt 71.95 90.06 0.08 OUTLIER Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 115.619 -0.719 . . . . 0.63 111.144 179.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 25' ' ' ILE . 33.5 Cg_endo -66.45 -19.15 55.31 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.585 2.19 . . . . 0.97 111.334 176.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.569 ' HB3' ' HB3' ' A' ' 4' ' ' HIS . 3.4 m -61.02 -30.92 70.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.343 -0.844 . . . . 1.1 111.457 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.99 2.23 9.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.294 -0.412 . . . . 0.89 111.371 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 60.18 36.77 20.95 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.325 0.583 . . . . 2.21 110.9 -178.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 31.4 m0 -94.42 175.23 6.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.512 -0.767 . . . . 1.02 111.462 -178.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -104.68 167.27 15.3 Favored Glycine 0 N--CA 1.442 -0.958 0 CA-C-N 115.212 -0.904 . . . . 1.67 111.231 171.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.0 119.98 20.7 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.761 0.315 . . . . 0.57 110.271 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -163.25 152.8 15.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.368 0.604 . . . . 0.84 111.739 -175.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.675 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 3.4 m -79.18 109.02 13.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.005 -0.998 . . . . 0.75 110.231 179.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 72.5 mtp -125.62 164.68 20.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.171 -0.468 . . . . 1.6 112.221 -179.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -101.11 137.23 39.74 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.379 -0.828 . . . . 1.0 110.499 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -117.53 131.13 56.75 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.491 -0.559 . . . . 0.37 109.491 176.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.605 ' HB3' HG23 ' A' ' 67' ' ' THR . . . -70.81 131.22 43.49 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.906 -0.405 . . . . 0.34 109.906 178.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.1 145.61 65.59 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 116.343 -0.39 . . . . 0.6 111.089 -176.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -61.77 152.73 72.44 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.36 2.04 . . . . 1.1 110.973 175.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.89 -16.74 40.03 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.995 2.463 . . . . 2.05 112.55 -177.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.75 -28.88 62.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.175 -0.466 . . . . 1.33 110.813 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 109.4 -176.17 19.39 Favored Glycine 0 N--CA 1.44 -1.073 0 N-CA-C 111.352 -0.699 . . . . 0.93 111.352 -178.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.469 ' HG ' ' CD2' ' A' ' 18' ' ' LEU . 2.7 mm? -101.12 141.59 22.92 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-O 120.635 0.255 . . . . 0.97 111.02 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.559 ' HD2' HD21 ' A' ' 48' ' ' LEU . 57.2 Cg_endo -78.09 -168.34 0.6 Allowed 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 123.034 2.489 . . . . 0.69 112.131 174.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.698 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -108.6 151.32 26.28 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.812 -0.631 . . . . 2.12 110.288 179.544 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.36 15.1 22.32 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 116.133 -0.485 . . . . 0.63 112.3 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.559 HD21 ' HD2' ' A' ' 45' ' ' PRO . 0.4 OUTLIER -133.19 53.1 2.04 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.953 0.406 . . . . 1.06 111.613 -177.29 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.671 ' HA ' HD11 ' A' ' 13' ' ' ILE . 32.7 mmtp -93.75 162.35 13.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.505 -0.316 . . . . 3.0 110.608 -175.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.91 112.2 0.49 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.045 -0.525 . . . . 0.37 110.815 174.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.62 -11.87 25.53 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.675 -0.774 . . . . 0.38 112.768 -178.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -86.15 155.07 20.91 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 121.101 0.477 . . . . 0.53 110.796 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.566 ' HG2' ' NE2' ' A' ' 74' ' ' GLN . 19.8 ttt85 -106.28 127.97 53.63 Favored 'General case' 0 N--CA 1.435 -1.175 0 N-CA-C 108.181 -1.044 . . . . 3.26 108.181 170.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.605 HG21 HD11 ' A' ' 10' ' ' ILE . 12.5 m -128.81 144.69 37.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.007 0.432 . . . . 0.3 111.48 -174.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.61 ' HB2' ' HG3' ' A' ' 74' ' ' GLN . . . -105.83 120.91 42.93 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.847 -0.797 . . . . 0.16 108.847 175.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.522 ' HB3' HG23 ' A' ' 71' ' ' VAL . 41.9 p90 -138.14 179.14 6.62 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.43 0.634 . . . . 0.36 112.071 -171.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.636 ' HB3' ' HD3' ' A' ' 5' ' ' ARG . 12.1 p -138.32 142.65 39.74 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.153 -0.93 . . . . 1.08 109.631 171.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -130.77 155.76 46.12 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.975 -0.557 . . . . 0.41 109.839 -177.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.617 ' HG3' HG21 ' A' ' 69' ' ' VAL . 76.2 mtt180 -107.33 137.39 45.46 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.856 0.36 . . . . 3.07 110.477 177.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 65' ' ' MET . 16.4 mt -103.68 127.44 51.14 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.487 -0.779 . . . . 1.04 110.554 178.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.459 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 1.6 m-20 -92.22 167.31 15.24 Favored Pre-proline 0 C--N 1.319 -0.75 0 N-CA-C 109.204 -0.665 . . . . 1.87 109.204 172.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.459 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 13.3 Cg_exo -68.42 -4.82 13.66 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.969 2.446 . . . . 1.62 111.735 -174.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.603 ' HB2' ' HG3' ' A' ' 65' ' ' MET . 82.7 m-70 -88.74 -12.6 41.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.28 -0.873 . . . . 2.43 109.988 177.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.96 32.94 16.39 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.102 -0.954 . . . . 1.08 110.966 -175.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.603 ' HG3' ' HB2' ' A' ' 63' ' ' HIS . 43.6 mtm -95.72 142.22 28.27 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 109.509 -0.552 . . . . 2.74 109.509 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.84 105.56 11.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.256 0.55 . . . . 0.54 110.04 -174.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.605 HG23 ' HB3' ' A' ' 38' ' ' ALA . 1.4 m -108.62 126.84 53.4 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.645 -0.707 . . . . 0.71 110.312 -177.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.46 130.79 40.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.105 -0.498 . . . . 1.18 109.661 -177.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.617 HG21 ' HG3' ' A' ' 59' ' ' ARG . 12.6 t -107.0 -67.36 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.063 0.458 . . . . 1.01 110.728 -178.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.7 p -132.05 130.72 41.67 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.142 -0.481 . . . . 0.42 110.881 -178.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.522 HG23 ' HB3' ' A' ' 56' ' ' PHE . 7.2 p -130.79 132.96 63.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.249 -0.432 . . . . 0.32 110.42 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -123.39 142.01 37.65 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.091 -0.504 . . . . 0.29 110.137 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -54.23 110.88 0.57 Allowed 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.859 2.373 . . . . 0.81 112.7 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.61 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 1.7 tt0 -81.79 173.82 11.92 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.819 -0.628 . . . . 1.08 109.829 176.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.4 m . . . . . 0 C--N 1.317 -0.819 0 CA-C-N 115.83 -0.623 . . . . 1.64 109.447 178.72 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo . . . . . 0 C--O 1.236 0.381 0 CA-C-O 121.174 0.406 . . . . 0.95 113.113 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -90.43 120.93 31.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.432 -0.804 . . . . 1.13 110.762 -176.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.5 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 26.2 m-70 -118.29 127.45 53.73 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.504 -0.554 . . . . 0.55 109.504 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.591 ' HG2' ' HB2' ' A' ' 57' ' ' SER . 59.2 mtt180 -77.83 150.49 34.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.017 0.437 . . . . 2.51 111.75 176.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.415 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . . . -158.34 150.01 21.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.55 -0.75 . . . . 0.41 110.864 177.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.3 m -115.55 150.59 17.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.232 -0.44 . . . . 0.24 110.387 175.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.524 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -174.67 -175.56 42.29 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.307 -0.949 . . . . 0.28 112.379 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.4 ttp85 -115.36 130.76 56.99 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.98 -0.748 . . . . 3.19 108.98 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.702 HD11 HG21 ' A' ' 54' ' ' VAL . 49.1 mm -64.05 126.91 23.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 116.164 -0.471 . . . . 0.23 110.957 -176.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -89.02 -53.08 4.75 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.716 -0.675 . . . . 1.13 109.571 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.0 m -160.67 147.82 15.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.271 -0.422 . . . . 0.75 110.3 176.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.753 HD11 ' HA ' ' A' ' 49' ' ' LYS . 80.4 mt -97.11 131.71 43.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.064 0.459 . . . . 0.77 110.676 178.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -96.3 -149.63 25.85 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.55 -0.75 . . . . 1.06 111.631 177.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.639 ' HG2' ' HG3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -107.12 -39.24 5.77 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.198 0.523 . . . . 2.51 109.949 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.639 ' HG3' ' HG2' ' A' ' 15' ' ' GLU . 98.8 mtt180 -121.49 -2.45 9.46 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 115.53 -0.759 . . . . 3.93 110.19 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.409 ' OG ' ' HG2' ' A' ' 36' ' ' GLU . 3.5 t -155.29 -177.78 6.79 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 108.038 -1.097 . . . . 0.94 108.038 -175.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.439 ' HB3' ' HA ' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -165.28 145.99 7.19 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 120.849 0.357 . . . . 1.03 110.608 176.318 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.654 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 16.3 mt -93.32 127.59 45.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.822 -0.626 . . . . 0.56 109.745 -176.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.4 mt -126.72 121.8 59.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.021 -0.536 . . . . 0.21 110.381 -176.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.636 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -72.79 93.79 1.72 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.528 -0.545 . . . . 0.22 109.528 171.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.524 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 27.6 p80 -94.26 151.97 19.04 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.197 -0.456 . . . . 0.27 111.118 -176.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -71.12 -164.51 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.231 -0.895 . . . . 3.05 111.232 176.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.474 ' O ' ' HD3' ' A' ' 26' ' ' PRO . . . -70.66 116.44 10.98 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.467 -0.788 . . . . 1.5 110.375 176.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.559 ' HB ' ' HB2' ' A' ' 30' ' ' TRP . 58.6 mt -100.05 100.21 11.0 Favored Pre-proline 0 C--N 1.312 -1.064 0 CA-C-N 114.977 -1.01 . . . . 0.63 110.19 177.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.474 ' HD3' ' O ' ' A' ' 24' ' ' ALA . 9.7 Cg_exo -72.33 -11.32 26.62 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.762 2.308 . . . . 0.97 112.435 -178.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.5 ' CB ' ' HB3' ' A' ' 4' ' ' HIS . 1.4 m -76.21 -36.71 58.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.098 0.475 . . . . 1.1 110.876 -179.509 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -118.1 6.16 12.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.079 -0.51 . . . . 0.89 110.844 -178.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 62.84 28.44 16.41 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.542 -0.753 . . . . 2.21 111.28 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.559 ' HB2' ' HB ' ' A' ' 25' ' ' ILE . 45.2 m0 -85.11 109.01 17.95 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.22 -0.659 . . . . 1.02 109.22 178.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -90.36 69.64 2.28 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.898 -0.668 . . . . 1.67 113.033 -171.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 55.09 101.94 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.966 0.728 . . . . 0.57 112.966 174.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 19.6 ptt? -166.83 150.04 6.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.912 -0.585 . . . . 0.84 110.398 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.636 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 25.8 m -78.37 107.24 10.86 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.709 -0.678 . . . . 0.75 110.725 -177.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.6 mtp -129.01 162.78 26.84 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 116.137 -0.483 . . . . 1.6 111.477 -178.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.654 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 31.7 tt0 -96.66 147.67 23.65 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.251 -0.886 . . . . 1.0 110.531 -177.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.51 ' HB3' ' HB2' ' A' ' 68' ' ' LEU . 96.4 m-85 -131.45 114.5 15.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.384 -0.371 . . . . 0.37 110.432 -177.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.63 132.41 53.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.765 -0.652 . . . . 0.34 111.372 -177.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.72 145.95 95.26 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.149 -0.478 . . . . 0.6 111.585 -176.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -64.21 152.62 80.47 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.376 2.051 . . . . 1.1 111.005 173.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.57 -14.09 24.32 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.201 2.601 . . . . 2.05 112.924 -177.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.99 -29.58 60.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.315 -0.402 . . . . 1.33 111.122 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.6 179.77 20.42 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.969 -0.634 . . . . 0.93 112.105 -179.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.408 HD22 ' N ' ' A' ' 44' ' ' LEU . 2.5 mm? -105.8 142.31 24.52 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-O 120.842 0.353 . . . . 0.97 111.325 -178.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.681 ' HD2' HD21 ' A' ' 48' ' ' LEU . 88.3 Cg_endo -87.18 -172.14 0.86 Allowed 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 123.287 2.658 . . . . 0.69 111.425 170.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.681 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -111.0 148.79 31.79 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.111 -0.495 . . . . 2.12 109.927 175.224 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.84 10.88 11.82 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 111.42 -0.672 . . . . 0.63 111.42 -177.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.681 HD21 ' HD2' ' A' ' 45' ' ' PRO . 0.5 OUTLIER -129.65 47.97 2.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.097 0.475 . . . . 1.06 110.342 -178.833 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.753 ' HA ' HD11 ' A' ' 13' ' ' ILE . 6.8 ptpp? -95.36 170.73 9.17 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.162 -0.472 . . . . 3.0 110.648 -170.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.41 112.97 0.83 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.89 -0.596 . . . . 0.37 111.077 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 106.49 -3.08 36.89 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.658 -0.782 . . . . 0.38 112.541 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.59 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 6.5 m-20 -88.94 153.52 20.97 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 121.039 0.447 . . . . 0.53 110.479 175.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.4 ' HD2' HH11 ' A' ' 53' ' ' ARG . 2.7 tpp180 -105.86 121.63 44.45 Favored 'General case' 0 N--CA 1.437 -1.125 0 N-CA-C 108.421 -0.955 . . . . 3.26 108.421 172.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.702 HG21 HD11 ' A' ' 10' ' ' ILE . 16.5 m -125.91 151.6 32.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-O 121.075 0.464 . . . . 0.3 111.221 -177.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.72 118.08 35.59 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.443 -0.947 . . . . 0.16 108.443 175.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.669 ' HB3' HG23 ' A' ' 71' ' ' VAL . 46.1 p90 -133.23 174.58 10.23 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.405 0.621 . . . . 0.36 112.357 -170.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.591 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 5.5 t -143.09 139.77 30.6 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.344 -0.844 . . . . 1.08 108.888 173.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.51 ' HD2' HD23 ' A' ' 60' ' ' LEU . 36.4 p90 -135.46 150.84 49.93 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.093 -0.503 . . . . 0.41 110.402 -174.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.7 ' HG3' HG21 ' A' ' 69' ' ' VAL . 42.6 mtm-85 -103.9 133.96 48.0 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.801 0.334 . . . . 3.07 110.383 178.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.625 HD22 ' HA ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -109.72 130.14 55.54 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 115.694 -0.684 . . . . 1.04 110.721 179.802 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.423 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 16.0 m-20 -99.11 165.57 14.63 Favored Pre-proline 0 C--N 1.317 -0.821 0 CA-C-N 116.031 -0.531 . . . . 1.87 109.686 174.22 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.413 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 16.7 Cg_exo -68.43 -7.14 19.38 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 123.161 2.574 . . . . 1.62 111.534 -176.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -85.95 -12.48 50.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.385 -0.825 . . . . 2.43 110.463 177.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.35 18.17 39.99 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.75 -0.94 . . . . 1.08 110.75 -175.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.423 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 77.5 mtp -74.91 118.26 17.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.267 -0.466 . . . . 2.74 109.791 -179.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.625 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -105.48 98.81 8.45 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.399 -0.593 . . . . 0.54 109.399 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.57 121.28 44.74 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.636 -0.711 . . . . 0.71 110.957 -172.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.51 ' HB2' ' HB3' ' A' ' 37' ' ' PHE . 41.5 tp -74.01 131.53 41.48 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.734 -0.469 . . . . 1.18 109.734 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.7 HG21 ' HG3' ' A' ' 59' ' ' ARG . 24.7 t -103.01 -55.18 6.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.024 0.44 . . . . 1.01 110.831 -177.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.7 p -143.13 146.24 33.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.616 -0.72 . . . . 0.42 110.265 -179.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.669 HG23 ' HB3' ' A' ' 56' ' ' PHE . 12.4 p -144.29 132.37 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.941 0.4 . . . . 0.32 110.203 175.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -119.68 140.1 28.95 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 116.28 -0.418 . . . . 0.29 110.327 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.83 115.45 3.26 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.504 2.136 . . . . 0.81 111.779 178.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.542 ' HG3' ' N ' ' A' ' 75' ' ' VAL . 1.8 pt20 -112.86 177.9 4.47 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.788 -0.642 . . . . 1.08 109.732 -177.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.542 ' N ' ' HG3' ' A' ' 74' ' ' GLN . 3.7 p . . . . . 0 C--N 1.313 -0.992 0 CA-C-O 121.574 0.702 . . . . 1.64 110.704 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo . . . . . 0 C--O 1.236 0.42 0 CA-C-O 121.388 0.495 . . . . 0.95 113.234 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -96.33 139.91 31.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.279 -0.873 . . . . 1.13 109.366 176.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -126.4 141.34 51.93 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.114 -0.328 . . . . 0.55 110.114 -177.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.463 ' HD3' ' HA ' ' A' ' 5' ' ' ARG . 2.5 mmt180 -85.01 128.91 34.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.121 -0.491 . . . . 2.51 110.61 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -137.73 128.23 26.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.073 0.463 . . . . 0.41 111.72 -173.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.408 ' HB ' HE22 ' A' ' 74' ' ' GLN . 27.4 m -110.43 151.75 12.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.092 -0.504 . . . . 0.24 110.473 174.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.608 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -179.06 -162.63 28.73 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.52 -0.847 . . . . 0.28 112.425 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.5 ttp-105 -125.28 133.71 52.55 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.446 -0.575 . . . . 3.19 109.446 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.617 HD11 HG21 ' A' ' 54' ' ' VAL . 41.8 mm -64.98 123.91 18.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.803 0.335 . . . . 0.23 110.412 -177.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -88.21 -53.92 4.46 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.844 -0.616 . . . . 1.13 109.456 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.7 m -159.82 158.73 31.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.767 -0.651 . . . . 0.75 109.249 175.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.864 HD11 ' HA ' ' A' ' 49' ' ' LYS . 69.2 mt -110.95 144.09 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.401 0.62 . . . . 0.77 111.833 -175.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.71 ' H ' ' HB3' ' A' ' 18' ' ' LEU . . . -131.99 160.37 23.57 Favored Glycine 0 N--CA 1.44 -1.05 0 N-CA-C 110.427 -1.069 . . . . 1.06 110.427 171.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -60.74 -42.88 98.23 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 111.833 0.308 . . . . 2.51 111.833 -176.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.84 -4.63 8.6 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.457 -0.497 . . . . 3.93 112.086 -175.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.41 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 10.5 p -157.71 146.26 19.27 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.727 -0.472 . . . . 0.94 109.727 172.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.71 ' HB3' ' H ' ' A' ' 14' ' ' GLY . 1.1 pp -145.41 152.01 39.16 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-O 120.954 0.407 . . . . 1.03 111.207 -178.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.568 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 9.4 mt -98.06 129.54 48.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.689 -0.687 . . . . 0.56 110.289 -174.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 82.1 mt -127.61 123.14 60.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.01 -0.541 . . . . 0.21 110.29 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.54 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -71.73 90.9 1.09 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.042 -0.725 . . . . 0.22 109.042 171.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.608 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 28.6 p80 -93.29 150.32 20.57 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.021 -0.536 . . . . 0.27 110.242 -177.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.442 ' O ' HG13 ' A' ' 25' ' ' ILE . 58.8 mt-10 -79.1 -160.34 0.23 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.774 -0.648 . . . . 3.05 110.614 178.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.461 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -54.12 -46.28 72.14 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.933 0.716 . . . . 1.5 112.933 -173.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 23' ' ' GLU . 44.0 mt 70.17 88.63 0.1 OUTLIER Pre-proline 0 C--N 1.317 -0.812 0 CA-C-O 121.026 0.441 . . . . 0.63 110.492 -176.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.49 -31.15 71.87 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.481 2.12 . . . . 0.97 111.774 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 m -68.48 -18.53 64.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.754 -0.657 . . . . 1.1 111.997 -176.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.01 -6.33 10.49 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.011 -0.276 . . . . 0.89 111.525 -177.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 63.01 35.69 12.98 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.998 -0.546 . . . . 2.21 110.709 -178.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.452 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 45.2 m0 -90.76 173.85 7.79 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.647 -0.501 . . . . 1.02 109.647 178.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.99 44.5 1.23 Allowed Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.187 -1.006 . . . . 1.67 113.879 -177.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.461 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 66.13 120.78 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.165 0.802 . . . . 0.57 113.165 174.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 14.6 ptt? -171.66 145.27 1.97 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.046 -0.525 . . . . 0.84 110.931 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.54 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 13.8 m -75.33 106.48 6.89 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.042 -0.526 . . . . 0.75 110.175 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 85.3 mtp -125.95 165.03 19.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.202 0.525 . . . . 1.6 112.18 -176.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.568 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 88.1 tt0 -104.59 138.58 40.72 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.962 -1.017 . . . . 1.0 110.252 -178.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -119.33 136.47 54.24 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.357 -0.383 . . . . 0.37 110.107 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.29 135.74 36.83 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.229 -0.441 . . . . 0.34 110.21 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.43 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . . . -95.13 143.41 26.06 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.331 -0.395 . . . . 0.6 110.589 -178.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 39' ' ' ALA . 24.2 Cg_exo -63.73 152.58 79.87 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.621 2.214 . . . . 1.1 110.808 173.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -62.98 -1.03 2.45 Favored 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 123.062 2.508 . . . . 2.05 113.399 -177.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.38 -21.59 38.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.928 0.394 . . . . 1.33 110.595 176.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.84 171.65 37.32 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 121.035 -0.603 . . . . 0.93 112.504 178.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.535 ' HG ' HD21 ' A' ' 18' ' ' LEU . 2.8 mm? -92.79 145.62 30.62 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-O 121.018 0.437 . . . . 0.97 111.379 -176.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.591 ' HD2' HD21 ' A' ' 48' ' ' LEU . 45.0 Cg_endo -74.91 -166.6 0.35 Allowed 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.866 2.378 . . . . 0.69 112.245 174.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -102.36 154.28 19.22 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.712 -0.676 . . . . 2.12 109.683 178.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.99 9.68 48.09 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.564 -0.827 . . . . 0.63 113.195 176.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.63 HD23 HG11 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -124.96 50.82 1.71 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.726 0.298 . . . . 1.06 111.762 -177.68 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.864 ' HA ' HD11 ' A' ' 13' ' ' ILE . 71.1 mmtt -94.21 158.79 15.43 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.337 -0.246 . . . . 3.0 110.337 -175.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.25 110.2 0.25 Allowed 'General case' 0 C--O 1.232 0.175 0 O-C-N 123.465 0.478 . . . . 0.37 111.044 177.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.76 -18.59 12.82 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.762 -0.732 . . . . 0.38 112.876 -178.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -81.24 158.58 24.79 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.424 0.63 . . . . 0.53 111.508 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -110.47 120.81 43.62 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.237 -0.892 . . . . 3.26 108.746 174.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.617 HG21 HD11 ' A' ' 10' ' ' ILE . 15.7 m -129.58 156.86 42.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.806 0.336 . . . . 0.3 110.79 -175.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.545 ' HB2' ' HG3' ' A' ' 74' ' ' GLN . . . -112.24 112.17 23.57 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.23 -0.655 . . . . 0.16 109.23 176.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.46 ' HB3' HG23 ' A' ' 71' ' ' VAL . 10.9 p90 -125.7 174.05 8.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.808 0.813 . . . . 0.36 112.147 -173.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.1 p -128.65 145.49 51.14 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 114.724 -1.125 . . . . 1.08 108.671 173.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -131.57 141.4 49.68 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.082 0.468 . . . . 0.41 110.238 177.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -110.78 134.26 52.65 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.854 -0.612 . . . . 3.07 109.453 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.98 118.79 29.8 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.987 0.422 . . . . 1.04 109.882 178.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.49 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 15.0 m-20 -89.74 167.48 17.25 Favored Pre-proline 0 C--N 1.314 -0.935 0 CA-C-N 115.795 -0.639 . . . . 1.87 109.279 178.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.49 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 20.4 Cg_exo -65.5 1.78 1.94 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.379 2.719 . . . . 1.62 113.172 -171.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -94.54 -18.98 20.92 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.266 0.555 . . . . 2.43 110.002 177.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.19 15.66 47.07 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 110.872 -0.891 . . . . 1.08 110.872 -177.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.4 mmt -88.26 152.96 21.59 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.173 -0.514 . . . . 2.74 110.096 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -107.19 97.75 7.48 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.85 -0.796 . . . . 0.54 108.85 -177.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.3 m -97.15 122.6 40.34 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.36 -0.836 . . . . 0.71 110.717 -173.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.454 HD21 ' HB2' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -70.33 128.0 34.72 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.619 -0.719 . . . . 1.18 109.559 -177.767 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.0 t -100.26 -66.14 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.056 0.455 . . . . 1.01 111.023 -173.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.3 p -138.07 143.15 40.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.924 -0.58 . . . . 0.42 109.715 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.63 HG11 HD23 ' A' ' 48' ' ' LEU . 13.1 p -133.51 123.26 45.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.371 0.605 . . . . 0.32 110.136 178.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.99 137.67 20.56 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-N 115.907 -0.588 . . . . 0.29 110.033 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -52.4 106.27 0.14 Allowed 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.775 2.317 . . . . 0.81 112.823 176.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.545 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 1.1 tt0 -86.9 174.51 8.69 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 115.393 -0.822 . . . . 1.08 110.106 176.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.439 -1.025 0 CA-C-N 115.07 -0.968 . . . . 1.64 110.014 172.076 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo . . . . . 0 C--O 1.236 0.376 0 CA-C-O 121.343 0.476 . . . . 0.95 112.041 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -101.56 125.13 48.16 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.287 -0.869 . . . . 1.13 110.228 -176.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -129.28 139.35 51.83 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.557 -0.905 . . . . 0.55 108.557 178.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.748 ' HA ' ' HA ' ' A' ' 57' ' ' SER . 17.7 ptp180 -99.72 160.64 14.15 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.272 -0.571 . . . . 2.51 110.645 178.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -159.69 148.99 18.01 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.36 -0.836 . . . . 0.41 110.39 -178.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.627 ' HB ' HE22 ' A' ' 74' ' ' GLN . 28.8 m -106.76 141.27 22.38 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 115.78 -0.645 . . . . 0.24 109.823 172.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.601 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -163.28 176.34 39.48 Favored Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.117 -1.04 . . . . 0.28 112.576 -177.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 52' ' ' ASP . 59.3 ttt180 -110.97 127.5 55.53 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.726 -0.472 . . . . 3.19 109.726 -178.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.427 HD11 HG21 ' A' ' 54' ' ' VAL . 43.0 mm -63.1 129.83 27.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.911 -0.586 . . . . 0.23 110.72 -177.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.449 ' NE2' ' HB2' ' A' ' 21' ' ' ALA . 2.2 tp-100 -92.08 -51.19 5.31 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 109.164 -0.68 . . . . 1.13 109.164 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.7 m -160.0 153.08 21.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.763 -0.653 . . . . 0.75 110.052 175.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.894 HD11 ' HA ' ' A' ' 49' ' ' LYS . 76.4 mt -100.63 144.89 12.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 123.3 0.375 . . . . 0.77 110.458 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.432 ' HA3' ' O ' ' A' ' 17' ' ' SER . . . -121.91 -157.35 9.98 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 121.023 -0.608 . . . . 1.06 112.364 178.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.831 ' HG3' ' HG2' ' A' ' 16' ' ' ARG . 8.7 pt-20 -89.73 -39.88 12.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.627 0.727 . . . . 2.51 110.45 -175.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.831 ' HG2' ' HG3' ' A' ' 15' ' ' GLU . 9.0 ptp180 -145.81 7.67 1.09 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.689 -1.141 . . . . 3.93 109.271 -177.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.432 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 2.4 p -155.68 146.85 22.53 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 114.766 -1.106 . . . . 0.94 108.942 -177.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.405 ' HB3' ' HA ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -150.83 152.44 33.75 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-O 121.098 0.475 . . . . 1.03 110.607 179.732 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.834 HG22 HG22 ' A' ' 34' ' ' THR . 6.7 mt -100.92 130.23 50.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.516 -0.766 . . . . 0.56 109.833 -172.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 69.4 mt -129.7 125.12 60.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.944 0.402 . . . . 0.21 111.309 -176.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.653 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -79.22 90.72 4.93 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.319 -0.623 . . . . 0.22 109.319 171.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.601 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 26.7 p80 -85.1 155.89 21.3 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.214 -0.448 . . . . 0.27 110.474 -178.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -70.45 -171.2 0.46 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.696 -0.684 . . . . 3.05 110.577 174.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.622 ' O ' ' HD3' ' A' ' 26' ' ' PRO . . . -69.03 117.77 11.09 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.547 -0.751 . . . . 1.5 109.057 172.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.426 ' HB ' ' HB2' ' A' ' 30' ' ' TRP . 41.9 mt -95.52 102.62 10.36 Favored Pre-proline 0 C--N 1.315 -0.931 0 CA-C-N 115.65 -0.705 . . . . 0.63 110.565 -176.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.622 ' HD3' ' O ' ' A' ' 24' ' ' ALA . 35.8 Cg_exo -63.18 -36.37 58.19 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.469 2.113 . . . . 0.97 111.423 178.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.1 m -58.7 -31.54 68.33 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.846 -0.615 . . . . 1.1 111.97 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -114.81 3.07 14.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.699 0.285 . . . . 0.89 111.17 -178.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.582 HE21 ' N ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER 57.47 28.56 15.66 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.829 -0.623 . . . . 2.21 111.27 -175.128 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.426 ' HB2' ' HB ' ' A' ' 25' ' ' ILE . 36.2 m0 -90.34 156.42 18.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.122 0.487 . . . . 1.02 111.002 179.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -92.85 -174.97 41.25 Favored Glycine 0 N--CA 1.438 -1.229 0 C-N-CA 120.521 -0.847 . . . . 1.67 111.37 172.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.25 116.48 21.15 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 110.013 -0.366 . . . . 0.57 110.013 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 5.3 ptt? -164.35 158.5 18.72 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.073 -0.512 . . . . 0.84 110.696 -177.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.834 HG22 HG22 ' A' ' 19' ' ' ILE . 16.7 m -88.44 103.34 15.76 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.5 -0.773 . . . . 0.75 110.778 -176.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.3 tpp -108.55 149.73 28.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.679 -0.691 . . . . 1.6 111.022 -176.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -88.88 128.44 35.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.116 177.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -117.76 136.43 53.39 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.334 -0.393 . . . . 0.37 110.076 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -93.76 140.25 29.87 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.257 -0.429 . . . . 0.34 110.023 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.404 ' HB2' HD11 ' A' ' 44' ' ' LEU . . . -94.05 150.99 39.33 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 123.196 0.31 . . . . 0.6 110.99 -178.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.481 ' HD3' ' O ' ' A' ' 68' ' ' LEU . 33.1 Cg_endo -65.12 159.33 47.31 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.488 2.125 . . . . 1.1 111.231 175.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 40' ' ' PRO . 35.5 Cg_exo -57.84 -15.0 19.85 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.992 2.461 . . . . 2.05 112.456 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.29 -41.25 96.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.917 -0.583 . . . . 1.33 111.241 177.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.81 167.47 21.63 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.8 -0.714 . . . . 0.93 112.279 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.404 HD11 ' HB2' ' A' ' 39' ' ' ALA . 3.2 mm? -88.4 141.62 30.75 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 121.137 0.494 . . . . 0.97 112.091 -174.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.494 ' HD2' HD21 ' A' ' 48' ' ' LEU . 54.7 Cg_endo -82.52 -166.08 0.37 Allowed 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 123.327 2.685 . . . . 0.69 111.753 171.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.657 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 1.0 OUTLIER -111.39 164.26 13.12 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.33 -0.85 . . . . 2.12 109.893 178.711 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.03 21.99 34.17 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.173 -0.537 . . . . 0.63 112.036 -178.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.678 HD23 HG11 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -136.94 49.48 2.04 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.718 0.294 . . . . 1.06 111.774 -178.904 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.894 ' HA ' HD11 ' A' ' 13' ' ' ILE . 9.7 ptpp? -94.79 161.69 14.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.191 -0.318 . . . . 3.0 110.525 -172.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.3 106.2 0.08 Allowed 'General case' 0 C--O 1.235 0.334 0 O-C-N 123.625 0.578 . . . . 0.37 111.303 177.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.76 -26.27 5.69 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.831 -0.699 . . . . 0.38 112.551 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.462 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 24.9 m-20 -70.39 148.23 48.62 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 120.952 0.406 . . . . 0.53 110.788 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -112.12 95.86 5.7 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.307 -0.997 . . . . 3.26 108.307 174.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.558 HG12 ' HA ' ' A' ' 73' ' ' PRO . 10.5 m -102.58 150.28 6.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.068 -0.515 . . . . 0.3 111.062 -169.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.96 120.82 38.02 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.778 -0.647 . . . . 0.16 109.258 173.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.844 ' HB3' HG23 ' A' ' 71' ' ' VAL . 37.3 p90 -139.75 167.45 22.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.28 0.562 . . . . 0.36 112.046 -173.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.748 ' HA ' ' HA ' ' A' ' 5' ' ' ARG . 35.5 p -132.55 139.12 47.72 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.519 -0.764 . . . . 1.08 109.51 175.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -134.11 161.48 34.74 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.895 0.378 . . . . 0.41 110.546 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.491 ' HG3' HG21 ' A' ' 69' ' ' VAL . 83.6 mtt180 -116.57 139.33 50.62 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.245 -0.434 . . . . 3.07 110.417 177.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.4 mt -100.15 141.49 32.9 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.722 -0.672 . . . . 1.04 110.762 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.533 ' OD2' ' HB2' ' A' ' 65' ' ' MET . 4.2 p30 -102.18 164.4 15.83 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 115.93 -0.577 . . . . 1.87 109.763 172.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.98 -0.96 3.68 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.984 2.456 . . . . 1.62 113.216 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -95.96 -19.23 19.66 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.72 -0.844 . . . . 2.43 108.72 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.26 23.71 10.21 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 114.457 -1.247 . . . . 1.08 111.911 176.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.533 ' HB2' ' OD2' ' A' ' 61' ' ' ASP . 31.6 mtp -100.24 152.55 20.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.153 0.501 . . . . 2.74 110.037 -179.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.03 109.53 18.21 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.441 -0.799 . . . . 0.54 110.226 -172.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.17 120.28 41.9 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 116.052 -0.522 . . . . 0.71 110.558 -177.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.492 HD11 ' HB2' ' A' ' 56' ' ' PHE . 42.4 tp -71.63 134.65 46.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.792 -0.64 . . . . 1.18 110.347 -177.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.491 HG21 ' HG3' ' A' ' 59' ' ' ARG . 21.8 t -103.49 -56.93 4.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.342 -0.39 . . . . 1.01 110.477 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.5 p -143.0 142.6 31.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 0.42 110.567 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.844 HG23 ' HB3' ' A' ' 56' ' ' PHE . 8.7 p -132.59 142.27 42.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.374 -0.602 . . . . 0.32 109.374 176.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -130.97 139.52 35.85 Favored Pre-proline 0 C--N 1.316 -0.886 0 N-CA-C 109.856 -0.424 . . . . 0.29 109.856 176.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.558 ' HA ' HG12 ' A' ' 54' ' ' VAL . 26.2 Cg_endo -64.17 104.63 0.51 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.024 1.816 . . . . 0.81 112.145 -179.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.627 HE22 ' HB ' ' A' ' 7' ' ' VAL . 1.5 tt0 -93.82 170.05 9.85 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 108.746 -0.835 . . . . 1.08 108.746 175.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.46 ' N ' ' CG ' ' A' ' 74' ' ' GLN . 2.4 p . . . . . 0 C--N 1.31 -1.128 0 CA-C-O 121.824 0.821 . . . . 1.64 110.673 -177.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo . . . . . 0 C--O 1.236 0.383 0 CA-C-O 120.965 0.319 . . . . 0.95 112.287 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -90.79 132.78 35.66 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.788 -0.642 . . . . 1.13 110.158 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.431 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 87.9 m-70 -126.1 147.11 49.67 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.681 -0.489 . . . . 0.55 109.681 178.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.578 HH11 ' HB3' ' A' ' 57' ' ' SER . 26.1 mmt180 -81.05 141.31 34.48 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.764 -0.458 . . . . 2.51 109.764 177.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.435 ' HB2' ' HE2' ' A' ' 58' ' ' PHE . . . -144.14 137.46 27.49 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 120.918 0.39 . . . . 0.41 111.149 179.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.0 m -119.0 151.02 21.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.265 -0.425 . . . . 0.24 110.142 173.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.599 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 174.01 -168.05 40.73 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.673 -0.775 . . . . 0.28 112.418 178.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 9' ' ' ARG . 13.8 ttp180 -115.91 137.4 52.14 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.645 -0.502 . . . . 3.19 109.645 -178.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.62 HD11 HG21 ' A' ' 54' ' ' VAL . 37.2 mm -68.0 124.69 24.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 116.307 -0.406 . . . . 0.23 110.241 179.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -85.25 -49.43 8.19 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.858 -0.61 . . . . 1.13 109.492 178.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.2 m -159.5 160.7 34.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.567 -0.742 . . . . 0.75 110.347 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.573 HD11 ' HA ' ' A' ' 49' ' ' LYS . 61.0 mt -107.95 130.79 59.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.474 -0.565 . . . . 0.77 109.474 173.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.74 -164.4 24.24 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 121.14 -0.552 . . . . 1.06 112.515 -177.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -83.13 -37.93 23.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.923 0.392 . . . . 2.51 111.151 -175.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -134.87 11.9 3.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.383 0.611 . . . . 3.93 110.504 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.604 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 3.6 p -158.09 172.94 17.51 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.242 -0.89 . . . . 0.94 109.007 -177.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.56 HD22 HG23 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -136.61 136.06 38.87 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.92 -0.77 . . . . 1.03 108.92 170.304 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.551 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 31.4 mt -84.98 122.18 37.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 N-CA-C 109.071 -0.714 . . . . 0.56 109.071 177.103 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 60.1 mt -123.34 121.19 62.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.087 -0.506 . . . . 0.21 110.786 -174.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.446 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -73.52 91.8 1.84 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.351 -0.611 . . . . 0.22 109.351 170.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.599 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 23.1 p80 -89.9 157.5 17.85 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.079 -0.509 . . . . 0.27 110.705 -176.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.426 ' O ' HG12 ' A' ' 25' ' ' ILE . 12.8 mm-40 -61.88 -169.81 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.296 -0.866 . . . . 3.05 111.559 174.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.585 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -55.63 -48.16 75.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 1.5 111.343 -178.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.53 ' HB ' ' HB2' ' A' ' 30' ' ' TRP . 41.7 mm 76.9 86.74 0.08 OUTLIER Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 123.782 0.676 . . . . 0.63 110.599 -178.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -75.58 -18.96 17.11 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 122.588 2.192 . . . . 0.97 111.873 178.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.431 ' HB2' ' HB3' ' A' ' 4' ' ' HIS . 9.0 p -71.94 -22.93 61.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.856 -0.611 . . . . 1.1 111.266 -178.137 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.16 4.72 9.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.565 -0.289 . . . . 0.89 111.196 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 55.77 49.72 15.63 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.976 -0.557 . . . . 2.21 111.374 -177.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.53 ' HB2' ' HB ' ' A' ' 25' ' ' ILE . 45.1 m0 -100.06 172.13 7.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.684 -0.689 . . . . 1.02 109.309 174.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.29 46.8 1.06 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.261 -0.971 . . . . 1.67 112.942 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.585 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 65.17 120.15 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.209 0.528 . . . . 0.57 112.307 175.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 19.1 ptt? -170.78 155.88 4.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.062 -0.517 . . . . 0.84 110.835 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.454 HG22 HG22 ' A' ' 19' ' ' ILE . 19.1 m -88.06 104.77 16.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.732 -0.667 . . . . 0.75 110.0 -177.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 73.6 mtp -115.83 164.2 14.73 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.69 -0.686 . . . . 1.6 111.944 -175.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.551 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 44.8 tt0 -102.75 122.75 45.11 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.066 -0.97 . . . . 1.0 109.872 178.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -105.27 121.24 43.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.302 -0.408 . . . . 0.37 110.301 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.604 ' HA ' ' HB3' ' A' ' 17' ' ' SER . . . -70.69 142.73 51.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.81 -0.632 . . . . 0.34 110.577 -176.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.91 139.97 97.95 Favored Pre-proline 0 C--O 1.235 0.309 0 CA-C-N 116.275 -0.42 . . . . 0.6 111.552 -178.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.453 ' HD2' HD13 ' A' ' 44' ' ' LEU . 36.3 Cg_endo -67.47 160.09 49.48 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.501 2.134 . . . . 1.1 111.469 174.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.93 -3.62 8.62 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.777 2.318 . . . . 2.05 112.976 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -105.41 3.37 29.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.506 -0.315 . . . . 1.33 111.153 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.46 169.59 45.81 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.645 -0.788 . . . . 0.93 112.238 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.558 ' HG ' HD21 ' A' ' 18' ' ' LEU . 2.7 mm? -86.5 141.61 34.47 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-O 120.991 0.424 . . . . 0.97 111.033 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.427 ' HD2' HD21 ' A' ' 48' ' ' LEU . 44.1 Cg_endo -80.64 -169.15 0.73 Allowed 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 123.063 2.508 . . . . 0.69 111.435 169.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.609 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 0.8 OUTLIER -111.47 148.96 32.01 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.605 -0.725 . . . . 2.12 110.464 -177.877 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.08 21.43 10.96 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.943 -0.572 . . . . 0.63 112.275 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.692 HD23 HG11 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -127.61 49.41 2.13 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.767 0.318 . . . . 1.06 111.814 -177.854 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.573 ' HA ' HD11 ' A' ' 13' ' ' ILE . 66.7 mttt -95.29 161.52 14.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.977 0.418 . . . . 3.0 111.738 -177.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.97 110.47 0.36 Allowed 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 115.42 -0.809 . . . . 0.37 110.872 175.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.51 -14.34 20.43 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.53 -0.843 . . . . 0.38 112.708 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -84.61 148.2 26.58 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 117.16 0.48 . . . . 0.53 110.4 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.435 ' O ' ' HG2' ' A' ' 74' ' ' GLN . 22.5 ttm105 -103.45 121.85 43.68 Favored 'General case' 0 N--CA 1.439 -1.017 0 N-CA-C 108.79 -0.819 . . . . 3.26 108.79 173.276 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.62 HG21 HD11 ' A' ' 10' ' ' ILE . 16.3 m -126.9 154.18 36.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.101 0.477 . . . . 0.3 111.613 -173.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.477 ' HB2' HE21 ' A' ' 74' ' ' GLN . . . -109.72 115.87 30.66 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.771 -0.825 . . . . 0.16 108.771 175.114 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.789 ' HB3' HG23 ' A' ' 71' ' ' VAL . 11.2 p90 -134.93 -177.94 4.86 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.419 0.526 . . . . 0.36 112.419 -168.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.578 ' HB3' HH11 ' A' ' 5' ' ' ARG . 86.6 p -143.99 153.96 42.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.642 -0.708 . . . . 1.08 109.806 175.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.457 ' HA ' HG23 ' A' ' 69' ' ' VAL . 54.1 p90 -141.1 154.35 45.88 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.431 -0.349 . . . . 0.41 110.854 -178.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.505 ' HG3' ' CG2' ' A' ' 69' ' ' VAL . 47.5 mtm180 -106.05 138.15 42.73 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.393 -0.595 . . . . 3.07 109.393 172.196 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.445 HD11 ' CZ2' ' A' ' 30' ' ' TRP . 14.8 mt -108.33 122.48 47.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.942 0.401 . . . . 1.04 111.906 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.458 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 33.8 m-20 -83.95 166.78 31.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 108.731 -0.841 . . . . 1.87 108.731 172.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.458 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 16.3 Cg_exo -68.12 -8.94 24.24 Favored 'Trans proline' 0 N--CA 1.464 -0.213 0 C-N-CA 122.77 2.313 . . . . 1.62 112.493 -174.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -90.52 -11.16 41.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.143 -0.48 . . . . 2.43 110.825 179.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.22 24.68 21.43 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.818 -0.706 . . . . 1.08 111.467 -176.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.521 ' HA ' ' CE ' ' A' ' 65' ' ' MET . 8.6 mmt -84.54 131.42 34.63 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 109.637 -0.505 . . . . 2.74 109.637 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -113.9 103.86 11.59 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.727 -0.472 . . . . 0.54 109.727 -174.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.86 126.96 52.47 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 116.122 -0.49 . . . . 0.71 110.138 -176.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.411 ' HB3' ' HD3' ' A' ' 40' ' ' PRO . 36.5 tp -70.09 124.7 24.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.585 -0.734 . . . . 1.18 110.472 -176.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.505 ' CG2' ' HG3' ' A' ' 59' ' ' ARG . 22.0 t -96.45 -55.41 6.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.179 0.514 . . . . 1.01 110.332 -178.003 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.2 p -142.11 158.93 43.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.507 -0.77 . . . . 0.42 109.388 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.789 HG23 ' HB3' ' A' ' 56' ' ' PHE . 9.8 p -156.52 129.52 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.136 0.493 . . . . 0.32 110.155 176.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -125.94 130.71 23.93 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.18 -0.464 . . . . 0.29 110.229 178.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.572 ' HA ' HG12 ' A' ' 54' ' ' VAL . 50.4 Cg_exo -53.77 122.6 11.62 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.74 2.293 . . . . 0.81 111.635 176.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.477 HE21 ' HB2' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -112.86 176.54 4.97 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.418 -0.586 . . . . 1.08 109.418 -179.292 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.428 ' N ' ' HG3' ' A' ' 74' ' ' GLN . 24.5 m . . . . . 0 C--N 1.314 -0.978 0 CA-C-N 115.948 -0.569 . . . . 1.64 111.024 -175.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo . . . . . 0 C--O 1.235 0.352 0 CA-C-O 120.874 0.281 . . . . 0.95 112.569 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -85.43 133.85 34.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.975 -0.557 . . . . 1.13 110.802 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.43 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 59.5 m-70 -127.67 142.74 51.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.214 -1.032 . . . . 0.55 108.214 174.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.473 ' HG2' ' HB3' ' A' ' 57' ' ' SER . 51.2 mtt180 -95.14 147.62 23.25 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.677 -0.409 . . . . 2.51 110.94 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -152.92 145.93 24.57 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.895 -0.593 . . . . 0.41 111.139 -179.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.6 m -114.56 149.42 16.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 115.533 -0.758 . . . . 0.24 109.929 172.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.423 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -172.53 -178.7 42.84 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.091 -1.052 . . . . 0.28 112.776 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -112.28 130.41 55.95 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.69 -0.485 . . . . 3.19 109.69 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.52 HD11 HG21 ' A' ' 54' ' ' VAL . 31.5 mm -65.92 136.95 25.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.237 -0.438 . . . . 0.23 111.679 -175.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.746 HE21 ' HB2' ' A' ' 21' ' ' ALA . 84.5 mm-40 -97.8 -48.82 5.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.033 -0.531 . . . . 1.13 110.11 175.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.8 m -161.76 146.26 12.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.906 -0.588 . . . . 0.75 110.442 -178.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.543 HD11 ' HA ' ' A' ' 49' ' ' LYS . 64.0 mt -98.07 143.29 13.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.488 -0.324 . . . . 0.77 110.569 176.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.591 ' H ' ' HB3' ' A' ' 18' ' ' LEU . . . -129.63 169.52 20.77 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.837 -0.619 . . . . 1.06 111.651 176.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -65.21 -44.7 87.48 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.284 0.475 . . . . 2.51 112.284 -175.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.515 ' HD3' ' H ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -120.26 -9.75 9.47 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.946 0.403 . . . . 3.93 110.986 -176.767 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.404 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 12.8 p -157.32 152.3 25.82 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.928 -0.578 . . . . 0.94 109.725 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.591 ' HB3' ' H ' ' A' ' 14' ' ' GLY . 0.4 OUTLIER -145.76 150.05 35.51 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 120.982 0.42 . . . . 1.03 111.633 -176.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.592 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 61.2 mt -93.78 125.54 46.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.609 -0.723 . . . . 0.56 111.24 -173.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 71.9 mt -126.17 128.09 71.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.829 -0.623 . . . . 0.21 110.358 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.746 ' HB2' HE21 ' A' ' 11' ' ' GLN . . . -80.33 90.64 5.58 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.08 -0.711 . . . . 0.22 109.08 174.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.423 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 29.0 p80 -86.23 153.01 22.32 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.449 -0.796 . . . . 0.27 110.141 -178.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -70.13 -164.97 0.08 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.907 -0.588 . . . . 3.05 110.545 176.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.561 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -52.22 -56.29 15.65 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.531 0.567 . . . . 1.5 112.531 -174.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.411 HG22 ' H ' ' A' ' 28' ' ' ALA . 24.9 mt 74.01 92.45 0.05 OUTLIER Pre-proline 0 C--N 1.322 -0.63 0 O-C-N 123.797 0.686 . . . . 0.63 110.93 -176.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -71.42 -17.8 30.21 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.384 2.056 . . . . 0.97 111.922 178.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.43 ' CB ' ' HB3' ' A' ' 4' ' ' HIS . 20.4 m -75.54 -23.3 56.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.778 -0.646 . . . . 1.1 111.718 -177.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.411 ' H ' HG22 ' A' ' 25' ' ' ILE . . . -114.22 -2.68 13.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.422 -0.353 . . . . 0.89 110.868 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 61.88 37.17 15.49 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.584 -0.734 . . . . 2.21 110.775 -178.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 45.7 m0 -95.63 172.85 7.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.077 -0.51 . . . . 1.02 110.155 177.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -125.15 32.94 3.81 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.598 -0.81 . . . . 1.67 112.614 -177.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.561 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 73.86 123.61 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.44 0.696 . . . . 0.57 111.474 -178.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -169.69 151.71 4.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.013 -0.54 . . . . 0.84 110.649 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.558 HG23 ' HG3' ' A' ' 11' ' ' GLN . 79.7 m -80.49 104.97 11.39 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.56 -0.745 . . . . 0.75 110.557 -179.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.4 tpp -130.47 158.26 40.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.129 -0.487 . . . . 1.6 110.597 -177.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.592 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 36.7 tt0 -96.84 140.82 30.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.487 -178.15 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.528 ' HB3' ' HB2' ' A' ' 68' ' ' LEU . 94.9 m-85 -114.77 148.19 38.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.033 -0.531 . . . . 0.37 110.075 179.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.05 135.09 35.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.283 -0.417 . . . . 0.34 110.68 -175.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.38 143.74 76.82 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.131 -0.486 . . . . 0.6 111.615 -177.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -81.02 168.4 17.24 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 122.787 2.324 . . . . 1.1 111.422 175.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -61.42 -11.79 21.23 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.806 2.337 . . . . 2.05 112.438 178.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.87 -19.85 59.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.004 -0.544 . . . . 1.33 111.141 178.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.99 174.63 49.13 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 120.856 -0.688 . . . . 0.93 111.777 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.448 ' HG ' HD21 ' A' ' 18' ' ' LEU . 2.3 mm? -98.17 134.34 22.14 Favored Pre-proline 0 C--N 1.318 -0.798 0 CA-C-O 120.744 0.307 . . . . 0.97 110.739 179.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.418 ' HD2' HD21 ' A' ' 48' ' ' LEU . 43.5 Cg_endo -77.91 -167.27 0.47 Allowed 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 122.952 2.434 . . . . 0.69 111.662 173.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.641 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -116.74 156.63 26.84 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.709 -0.678 . . . . 2.12 109.693 178.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.41 20.27 18.13 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.006 -0.616 . . . . 0.63 111.576 -177.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.629 ' HB3' HG11 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -139.97 45.09 1.9 Allowed 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 111.982 0.364 . . . . 1.06 111.982 -176.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.543 ' HA ' HD11 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -96.14 171.33 8.67 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.809 -0.357 . . . . 3.0 110.668 -177.577 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.22 113.69 0.47 Allowed 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.795 0.685 . . . . 0.37 112.229 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.32 -17.3 26.49 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.865 -0.683 . . . . 0.38 113.35 177.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -82.87 153.29 25.2 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 117.379 0.59 . . . . 0.53 110.769 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 46.2 ttt-85 -105.35 123.35 47.71 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 108.74 -0.837 . . . . 3.26 108.74 172.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.629 HG11 ' HB3' ' A' ' 48' ' ' LEU . 7.6 m -124.23 154.03 30.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 120.963 0.411 . . . . 0.3 111.306 -177.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.85 115.68 30.26 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.987 -0.745 . . . . 0.16 108.987 177.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.606 ' HB3' HG23 ' A' ' 71' ' ' VAL . 42.3 p90 -134.95 165.08 26.16 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.784 0.661 . . . . 0.36 112.784 -170.092 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.473 ' HB3' ' HG2' ' A' ' 5' ' ' ARG . 87.9 p -127.26 135.66 50.91 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.082 -0.963 . . . . 1.08 109.256 174.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -135.99 152.54 51.04 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.332 -0.394 . . . . 0.41 110.33 -178.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -104.36 143.08 33.47 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.645 -0.502 . . . . 3.07 109.645 177.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.9 mt -117.37 125.41 50.96 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.998 -0.546 . . . . 1.04 111.295 -176.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.532 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 28.4 m-20 -93.15 163.96 23.24 Favored Pre-proline 0 C--N 1.317 -0.836 0 N-CA-C 109.362 -0.607 . . . . 1.87 109.362 174.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.41 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 24.7 Cg_exo -64.09 -16.74 56.63 Favored 'Trans proline' 0 CA--C 1.528 0.197 0 C-N-CA 123.221 2.614 . . . . 1.62 113.245 -173.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -80.87 -12.23 59.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.919 0.39 . . . . 2.43 110.786 176.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.66 31.0 8.53 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 110.962 -0.855 . . . . 1.08 110.962 -174.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.532 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 22.6 mmt -85.13 110.75 19.2 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.831 -0.433 . . . . 2.74 109.831 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.18 98.43 11.29 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.526 -0.761 . . . . 0.54 109.559 -176.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.05 106.64 17.23 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.509 -0.769 . . . . 0.71 110.777 -173.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.528 ' HB2' ' HB3' ' A' ' 37' ' ' PHE . 2.9 tm? -68.21 128.04 35.12 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.417 -0.811 . . . . 1.18 109.27 -179.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.4 t -99.67 -57.07 4.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.169 0.509 . . . . 1.01 110.368 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.2 p -145.21 143.74 30.45 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.514 -0.766 . . . . 0.42 110.344 -177.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.606 HG23 ' HB3' ' A' ' 56' ' ' PHE . 7.7 p -138.4 128.0 33.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.115 0.483 . . . . 0.32 109.931 178.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.21 124.61 34.12 Favored Pre-proline 0 C--N 1.318 -0.764 0 CA-C-N 116.128 -0.487 . . . . 0.29 110.011 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.459 ' HA ' HG12 ' A' ' 54' ' ' VAL . 40.2 Cg_exo -57.52 109.43 0.47 Allowed 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.362 2.041 . . . . 0.81 111.053 175.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.446 ' HG2' ' HA ' ' A' ' 54' ' ' VAL . 17.4 pt20 -109.28 179.48 4.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.56 -0.745 . . . . 1.08 109.657 -178.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 6.1 m . . . . . 0 C--N 1.312 -1.034 0 CA-C-N 115.736 -0.665 . . . . 1.64 109.474 -173.435 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.493 ' HD2' ' O ' ' A' ' 60' ' ' LEU . 42.3 Cg_endo . . . . . 0 C--O 1.235 0.374 0 CA-C-O 121.221 0.425 . . . . 0.95 112.118 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -89.51 114.85 26.44 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.264 -0.88 . . . . 1.13 110.102 -178.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.402 ' NE2' ' HB2' ' A' ' 2' ' ' PRO . 79.7 m-70 -118.43 145.88 44.88 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.424 -0.584 . . . . 0.55 109.424 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.424 ' HA ' ' HA ' ' A' ' 57' ' ' SER . 38.1 mtt180 -89.07 151.14 22.41 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.907 0.385 . . . . 2.51 110.93 177.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.454 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . . . -151.81 149.49 29.08 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.893 -0.594 . . . . 0.41 110.278 179.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.0 m -119.54 148.55 22.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 116.325 -0.398 . . . . 0.24 110.106 176.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.496 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -174.51 -166.44 32.48 Favored Glycine 0 N--CA 1.442 -0.935 0 C-N-CA 120.484 -0.865 . . . . 0.28 112.222 178.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -124.17 135.14 53.26 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.858 -0.793 . . . . 3.19 108.858 -178.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.693 HD11 HG21 ' A' ' 54' ' ' VAL . 47.4 mm -67.04 129.57 31.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 120.816 0.341 . . . . 0.23 110.947 -173.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -90.03 -54.31 4.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.573 -0.74 . . . . 1.13 109.677 -178.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.6 m -162.67 147.34 11.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.75 110.32 177.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.774 HD11 ' HA ' ' A' ' 49' ' ' LYS . 80.9 mt -95.25 141.93 14.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.425 -0.352 . . . . 0.77 110.356 178.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -109.62 -142.6 9.64 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 111.541 -0.624 . . . . 1.06 111.541 175.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -122.91 -22.67 5.2 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.969 0.414 . . . . 2.51 110.72 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.453 ' HE ' ' HB2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -136.1 -7.58 2.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.213 -0.449 . . . . 3.93 110.396 178.859 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.546 ' CB ' ' HA ' ' A' ' 38' ' ' ALA . 13.5 m -155.3 177.38 11.42 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.988 -1.116 . . . . 0.94 107.988 173.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.494 ' HB3' ' HA ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -159.57 152.09 21.3 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.99 0.424 . . . . 1.03 110.806 176.866 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.508 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 14.5 mt -95.91 133.4 37.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.784 -0.643 . . . . 0.56 110.123 -174.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 79.0 mt -131.31 124.6 55.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.101 -0.5 . . . . 0.21 110.658 -178.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.649 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -72.15 91.35 1.27 Allowed 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.279 -0.637 . . . . 0.22 109.279 170.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.496 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 29.9 p80 -91.18 154.35 19.38 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.148 -0.478 . . . . 0.27 111.241 -175.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -67.64 -171.24 0.18 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.152 -0.931 . . . . 3.05 110.939 174.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.73 -31.6 72.9 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.217 0.451 . . . . 1.5 112.217 -176.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 57.7 mt 67.3 95.31 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 121.124 0.488 . . . . 0.63 111.158 178.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -70.45 -14.72 34.19 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.417 2.078 . . . . 0.97 112.226 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 43.8 m -83.41 -11.62 57.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.727 -0.669 . . . . 1.1 111.384 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.21 -9.64 7.58 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.84 -0.344 . . . . 0.89 111.806 -178.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 60.69 40.6 16.13 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.316 0.579 . . . . 2.21 110.091 -175.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 32.7 m0 -101.52 176.17 5.32 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.325 -0.852 . . . . 1.02 111.348 -177.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -102.99 168.16 17.79 Favored Glycine 0 N--CA 1.438 -1.204 0 CA-C-N 115.137 -0.938 . . . . 1.67 111.375 172.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.17 114.07 17.81 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.737 -0.468 . . . . 0.57 109.737 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -158.37 147.91 19.51 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.077 -0.51 . . . . 0.84 111.274 -174.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.649 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 20.3 m -76.26 106.53 7.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.367 -0.833 . . . . 0.75 110.436 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 63.4 mtp -122.31 165.18 16.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.066 -0.516 . . . . 1.6 111.569 -178.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.508 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 40.0 tt0 -97.75 136.81 37.57 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.24 -0.891 . . . . 1.0 110.464 -179.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.45 ' HB3' ' HB2' ' A' ' 68' ' ' LEU . 97.0 m-85 -119.63 118.4 30.87 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.973 -0.558 . . . . 0.37 110.175 176.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.546 ' HA ' ' CB ' ' A' ' 17' ' ' SER . . . -67.78 137.01 55.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.481 -0.782 . . . . 0.34 110.384 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.429 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . . . -81.48 146.66 57.86 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.489 -0.323 . . . . 0.6 110.819 -177.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 39' ' ' ALA . 22.5 Cg_exo -64.89 150.53 88.0 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 122.345 2.03 . . . . 1.1 110.841 174.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -56.54 -16.41 18.64 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.869 2.379 . . . . 2.05 112.373 178.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.86 -30.69 70.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 1.33 111.14 176.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 109.23 -179.42 20.98 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.91 -0.662 . . . . 0.93 112.091 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -99.47 146.31 31.57 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-O 120.776 0.322 . . . . 0.97 111.535 -178.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.681 ' HD2' HD21 ' A' ' 48' ' ' LEU . 61.3 Cg_endo -85.73 -164.26 0.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 123.368 2.712 . . . . 0.69 111.769 170.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.651 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -117.04 150.47 38.59 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.47 -0.787 . . . . 2.12 110.291 -179.252 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.93 17.02 19.93 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.918 -0.583 . . . . 0.63 112.088 178.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.815 HD23 HG11 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -127.67 49.27 2.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.645 0.26 . . . . 1.06 111.549 -177.656 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.774 ' HA ' HD11 ' A' ' 13' ' ' ILE . 5.1 ptpp? -95.36 167.31 11.42 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.711 -0.396 . . . . 3.0 110.282 -174.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.02 110.53 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.819 -0.628 . . . . 0.37 111.182 178.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.93 -23.56 9.94 Favored Glycine 0 N--CA 1.441 -1.006 0 C-N-CA 120.741 -0.743 . . . . 0.38 112.686 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.429 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 12.4 m-20 -71.09 146.64 49.13 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.38 0.61 . . . . 0.53 110.592 -179.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.06 119.29 38.58 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 107.959 -1.126 . . . . 3.26 107.959 175.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.731 ' HA ' ' H ' ' A' ' 74' ' ' GLN . 15.4 m -128.93 156.43 41.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.159 0.504 . . . . 0.3 111.647 -172.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -115.83 121.22 41.76 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.601 -0.888 . . . . 0.16 108.601 174.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.767 ' HB3' HG23 ' A' ' 71' ' ' VAL . 33.7 p90 -134.58 173.02 12.12 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.339 0.59 . . . . 0.36 112.316 -169.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' A' ' 5' ' ' ARG . 20.6 p -134.1 141.25 47.08 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.456 -0.793 . . . . 1.08 109.584 175.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.445 ' HA ' HG23 ' A' ' 69' ' ' VAL . 40.5 p90 -138.95 164.3 30.08 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.187 -0.301 . . . . 0.41 110.187 -178.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.479 ' HG3' ' CG2' ' A' ' 69' ' ' VAL . 21.4 mtm180 -117.15 140.94 48.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.814 0.34 . . . . 3.07 110.316 177.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.493 ' O ' ' HD2' ' A' ' 2' ' ' PRO . 15.6 mt -90.06 122.88 33.45 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.725 -0.67 . . . . 1.04 109.975 173.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.431 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 28.3 m-20 -86.32 166.42 28.33 Favored Pre-proline 0 C--N 1.316 -0.861 0 N-CA-C 109.23 -0.656 . . . . 1.87 109.23 177.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.431 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 15.7 Cg_exo -69.29 1.21 4.32 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 123.008 2.472 . . . . 1.62 113.241 -173.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.9 m170 -104.44 -6.84 20.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.368 0.604 . . . . 2.43 110.265 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.6 27.95 15.82 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.155 -0.93 . . . . 1.08 111.342 -178.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 95.7 mmm -99.57 153.42 19.06 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.56 -0.32 . . . . 2.74 110.29 -178.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.72 98.28 6.43 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.467 0.651 . . . . 0.54 109.561 -173.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.538 HG23 ' HB3' ' A' ' 38' ' ' ALA . 4.0 m -105.77 126.59 52.34 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.488 -0.778 . . . . 0.71 110.117 -176.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.48 HD11 ' HB2' ' A' ' 56' ' ' PHE . 36.8 tp -71.76 145.24 48.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.623 -0.717 . . . . 1.18 110.969 -173.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.479 ' CG2' ' HG3' ' A' ' 59' ' ' ARG . 46.7 t -106.88 -63.96 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.984 -0.553 . . . . 1.01 109.704 176.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.9 p -143.64 153.13 42.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.185 -0.461 . . . . 0.42 110.596 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.815 HG11 HD23 ' A' ' 48' ' ' LEU . 10.4 p -136.28 140.83 42.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.464 -0.569 . . . . 0.32 109.464 177.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -130.83 141.75 43.08 Favored Pre-proline 0 C--N 1.319 -0.718 0 N-CA-C 109.989 -0.375 . . . . 0.29 109.989 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -61.42 110.53 0.93 Allowed 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.545 2.163 . . . . 0.81 112.55 -178.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.731 ' H ' ' HA ' ' A' ' 54' ' ' VAL . 1.6 tt0 -77.31 174.06 11.21 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 115.537 -0.756 . . . . 1.08 109.225 174.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.32 -0.704 0 N-CA-C 112.914 0.709 . . . . 1.64 112.914 -178.656 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo . . . . . 0 C--O 1.235 0.341 0 CA-C-O 120.99 0.329 . . . . 0.95 112.616 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -89.31 136.72 32.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.728 -0.669 . . . . 1.13 110.718 -178.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.457 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 90.4 m-70 -130.48 154.93 47.26 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.536 -0.542 . . . . 0.55 109.536 177.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.627 ' HD3' ' HB3' ' A' ' 57' ' ' SER . 26.5 mmt180 -91.51 146.89 23.42 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.701 -0.111 . . . . 2.51 110.701 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -157.03 134.15 10.39 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.32 0.581 . . . . 0.41 112.029 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.489 ' HB ' HE22 ' A' ' 74' ' ' GLN . 18.6 m -120.47 148.54 23.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.706 -0.679 . . . . 0.24 109.572 174.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.814 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 177.92 -171.73 44.27 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.06 -1.067 . . . . 0.28 113.042 -179.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.496 ' HA ' ' HA ' ' A' ' 53' ' ' ARG . 40.7 ttp-105 -111.84 134.01 53.68 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.792 0.329 . . . . 3.19 110.427 -177.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.469 HD11 ' CG2' ' A' ' 54' ' ' VAL . 29.2 mm -72.66 134.18 30.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.985 -0.552 . . . . 0.23 111.014 -176.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.602 HE21 ' HB2' ' A' ' 21' ' ' ALA . 84.1 mm-40 -91.15 -53.23 4.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.5 -0.318 . . . . 1.13 110.463 176.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.588 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 67.2 m -165.4 131.66 2.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.43 . . . . 0.75 109.885 -178.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.882 ' HA ' ' HB3' ' A' ' 18' ' ' LEU . 66.5 mt -95.11 124.55 47.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.144 0.497 . . . . 0.77 110.824 177.132 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -96.86 -159.72 31.64 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.24 -0.891 . . . . 1.06 111.571 178.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -79.74 -40.67 28.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.106 0.479 . . . . 2.51 110.311 -178.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -138.68 9.08 2.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.875 -0.602 . . . . 3.93 111.662 -178.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.0 p -155.74 146.7 22.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.263 -0.426 . . . . 0.94 110.515 177.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.882 ' HB3' ' HA ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -142.3 145.2 33.73 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.964 0.412 . . . . 1.03 110.902 179.492 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.704 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 12.3 mt -91.28 128.52 42.99 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.044 0 N-CA-C 109.124 -0.695 . . . . 0.56 109.124 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 57.8 mt -128.11 124.81 63.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-O 120.925 0.393 . . . . 0.21 110.614 -178.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.602 ' HB2' HE21 ' A' ' 11' ' ' GLN . . . -84.18 89.61 7.35 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.759 -0.83 . . . . 0.22 108.759 173.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.814 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 28.2 p80 -90.44 153.66 20.23 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.653 -0.703 . . . . 0.27 110.798 -176.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -68.77 -166.24 0.07 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.313 -0.858 . . . . 3.05 110.828 176.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.532 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -52.06 -50.91 60.58 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.271 0.841 . . . . 1.5 113.271 -172.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.516 HG23 ' O ' ' A' ' 5' ' ' ARG . 24.6 mt 75.48 91.76 0.05 OUTLIER Pre-proline 0 C--N 1.321 -0.64 0 O-C-N 123.59 0.556 . . . . 0.63 110.583 -174.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -76.33 -0.49 10.44 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.354 2.036 . . . . 0.97 112.114 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.457 ' HB2' ' HB3' ' A' ' 4' ' ' HIS . 15.6 m -88.2 -20.89 24.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.919 -0.582 . . . . 1.1 110.747 177.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.66 -2.2 8.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.545 -0.298 . . . . 0.89 111.696 -176.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 66.1 25.51 10.79 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.512 0.507 . . . . 2.21 111.316 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 49.2 m0 -83.85 172.19 12.38 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.785 -0.45 . . . . 1.02 109.785 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.42 44.58 1.22 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.681 -0.771 . . . . 1.67 113.11 -176.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.532 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 70.65 125.21 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.128 0.571 . . . . 0.57 111.699 177.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 22.4 ptp -168.13 145.47 4.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.984 -0.553 . . . . 0.84 110.878 -176.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.56 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 23.9 m -85.57 106.09 16.63 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.498 -0.774 . . . . 0.75 109.674 178.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 29.4 ttm -129.91 149.29 51.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.353 -0.385 . . . . 1.6 111.087 -175.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.704 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 44.2 tt0 -85.43 135.51 33.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.208 178.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -114.72 142.16 46.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.012 -0.54 . . . . 0.37 110.079 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.535 ' HB3' HG23 ' A' ' 67' ' ' THR . . . -84.01 132.55 34.73 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.198 -0.455 . . . . 0.34 109.971 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.6 147.57 33.43 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 116.037 -0.529 . . . . 0.6 111.035 -177.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 23.1 Cg_endo -62.09 148.9 92.3 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.609 2.206 . . . . 1.1 111.3 172.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 40' ' ' PRO . 40.3 Cg_exo -57.66 -15.88 22.44 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.263 2.642 . . . . 2.05 113.243 -178.17 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.55 -25.11 63.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.45 -0.341 . . . . 1.33 111.14 177.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.96 170.77 38.49 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.96 -0.638 . . . . 0.93 112.449 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.445 HD22 ' N ' ' A' ' 44' ' ' LEU . 2.1 mm? -97.39 152.94 38.51 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 110.155 -0.313 . . . . 0.97 110.155 -178.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.433 ' HD2' HD11 ' A' ' 48' ' ' LEU . 1.7 Cg_endo -82.23 -165.95 0.36 Allowed 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 122.909 2.406 . . . . 0.69 111.115 171.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.54 176.0 5.31 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.468 -0.567 . . . . 2.12 109.468 175.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.8 6.25 85.54 Favored Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.336 -0.935 . . . . 0.63 110.928 -176.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.654 HD22 HG13 ' A' ' 71' ' ' VAL . 1.5 pp -147.4 40.26 1.02 Allowed 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 114.679 -0.76 . . . . 1.06 110.01 -178.001 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.401 ' H ' ' HG3' ' A' ' 49' ' ' LYS . 1.5 pptp? -96.94 -175.51 3.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.545 -0.752 . . . . 3.0 111.38 -171.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.588 ' HB2' ' HA ' ' A' ' 12' ' ' SER . . . -48.17 113.04 0.66 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.31 -0.405 . . . . 0.37 111.952 179.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.61 -23.82 11.73 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.143 -0.551 . . . . 0.38 112.152 -178.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -77.46 148.75 35.23 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 121.091 0.472 . . . . 0.53 111.039 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.496 ' HA ' ' HA ' ' A' ' 9' ' ' ARG . 76.7 ttt180 -111.95 114.48 27.41 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.643 -0.873 . . . . 3.26 108.643 173.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.686 HG12 ' HA ' ' A' ' 73' ' ' PRO . 11.8 m -125.76 167.65 19.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.253 -0.43 . . . . 0.3 111.654 -169.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.425 ' HA ' HG12 ' A' ' 7' ' ' VAL . . . -114.45 123.9 50.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.658 -0.701 . . . . 0.16 109.812 177.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.664 ' HB3' HG23 ' A' ' 71' ' ' VAL . 20.5 p90 -141.74 -176.53 4.8 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.298 0.57 . . . . 0.36 111.517 -174.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.627 ' HB3' ' HD3' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -133.98 -178.22 4.93 Favored 'General case' 0 N--CA 1.438 -1.058 0 N-CA-C 108.484 -0.932 . . . . 1.08 108.484 168.757 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -166.21 162.32 17.42 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 110.141 -0.318 . . . . 0.41 110.141 178.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.403 ' HG3' HG11 ' A' ' 69' ' ' VAL . 77.2 mtm180 -119.82 137.74 53.8 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.231 -0.44 . . . . 3.07 110.13 177.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 60' ' ' LEU . 17.9 mt -95.87 125.12 40.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.858 -0.61 . . . . 1.04 110.736 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.75 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 5.6 m-20 -89.44 166.39 21.51 Favored Pre-proline 0 C--N 1.32 -0.681 0 N-CA-C 109.28 -0.637 . . . . 1.87 109.28 175.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.469 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 17.7 Cg_exo -67.13 -2.73 8.52 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 123.265 2.643 . . . . 1.62 113.459 -172.01 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -102.08 1.46 36.37 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.063 0.459 . . . . 2.43 110.7 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.45 24.21 44.17 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 110.842 -0.903 . . . . 1.08 110.842 -175.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.75 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 91.4 mmm -81.45 132.58 35.33 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 115.27 -0.465 . . . . 2.74 110.247 -177.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.76 98.27 7.98 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 109.008 -0.738 . . . . 0.54 109.008 -177.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.535 HG23 ' HB3' ' A' ' 38' ' ' ALA . 1.2 m -105.66 119.81 40.08 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 115.907 -0.588 . . . . 0.71 110.658 -174.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.9 tp -67.46 141.44 56.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.321 -0.854 . . . . 1.18 109.882 -177.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.741 HG23 ' H ' ' A' ' 70' ' ' THR . 9.1 m -109.57 -64.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.752 0.311 . . . . 1.01 111.337 -178.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.741 ' H ' HG23 ' A' ' 69' ' ' VAL . 31.7 p -142.69 142.86 32.1 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.037 -0.727 . . . . 0.42 109.037 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.664 HG23 ' HB3' ' A' ' 56' ' ' PHE . 10.7 p -136.19 138.55 46.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.022 0.439 . . . . 0.32 110.705 178.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -127.7 142.33 43.86 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.628 -0.714 . . . . 0.29 109.933 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.686 ' HA ' HG12 ' A' ' 54' ' ' VAL . 30.0 Cg_endo -64.0 127.38 19.27 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.477 2.118 . . . . 0.81 111.902 179.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.489 HE22 ' HB ' ' A' ' 7' ' ' VAL . 9.3 pt20 -129.14 178.25 6.56 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.403 -0.592 . . . . 1.08 109.403 178.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.8 m . . . . . 0 C--N 1.316 -0.885 0 N-CA-C 108.898 -0.779 . . . . 1.64 108.898 -177.864 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.435 ' HA3' ' O ' ' A' ' 60' ' ' LEU . . . . . . . . 0 N--CA 1.484 1.837 0 N-CA-C 111.888 -0.485 . . . . 1.67 111.888 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.421 ' HD2' ' O ' ' A' ' 60' ' ' LEU . 33.5 Cg_endo -64.65 147.51 90.03 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.923 2.415 . . . . 0.95 112.485 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -96.28 133.13 41.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.924 -0.58 . . . . 1.13 110.007 -178.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -127.14 156.9 41.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.465 -0.334 . . . . 0.55 110.133 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.421 ' O ' HG23 ' A' ' 25' ' ' ILE . 20.4 tpt180 -89.17 141.12 28.8 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.917 -0.401 . . . . 2.51 109.917 178.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -148.21 126.91 12.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.252 0.548 . . . . 0.41 111.199 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.533 ' HB ' HE22 ' A' ' 74' ' ' GLN . 17.6 m -111.94 150.74 14.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.92 -0.582 . . . . 0.24 110.075 174.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.709 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 176.72 -173.69 46.48 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.187 -1.006 . . . . 0.28 112.763 178.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.4 ttp85 -111.22 132.49 54.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.835 0.35 . . . . 3.19 110.073 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.513 HD11 ' CG2' ' A' ' 54' ' ' VAL . 39.8 mm -66.56 124.76 22.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.028 -0.533 . . . . 0.23 110.335 -177.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -89.93 -48.76 7.01 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.956 -0.566 . . . . 1.13 109.601 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.468 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 37.6 m -160.52 149.31 16.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.848 -0.614 . . . . 0.75 110.097 178.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.6 HD11 ' HA ' ' A' ' 49' ' ' LYS . 34.6 mt -102.82 142.11 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.88 0.372 . . . . 0.77 110.784 177.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.51 ' H ' ' HB3' ' A' ' 18' ' ' LEU . . . -121.98 -174.07 14.55 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.773 -0.649 . . . . 1.06 112.297 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.721 ' HG3' ' HG3' ' A' ' 16' ' ' ARG . 8.9 pt-20 -70.96 -44.1 66.73 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 122.438 0.295 . . . . 2.51 111.715 -176.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.721 ' HG3' ' HG3' ' A' ' 15' ' ' GLU . 3.9 ppt_? -143.0 8.5 1.67 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.381 0.61 . . . . 3.93 110.897 178.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.458 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 17.4 p -156.03 147.73 22.94 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.378 -0.828 . . . . 0.94 108.784 174.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.644 HD21 ' HG ' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -147.01 146.5 30.07 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 116.195 -0.457 . . . . 1.03 111.1 -175.727 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.677 HG22 HG22 ' A' ' 34' ' ' THR . 15.9 mt -91.56 126.84 44.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.687 -0.688 . . . . 0.56 110.181 -176.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.2 mt -125.37 126.19 70.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.727 -0.669 . . . . 0.21 110.167 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.79 89.26 2.86 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.052 -0.722 . . . . 0.22 109.052 171.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.709 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 28.3 p80 -87.61 153.25 21.54 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.755 -0.657 . . . . 0.27 110.685 -178.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.417 ' O ' HG13 ' A' ' 25' ' ' ILE . 48.3 mt-10 -71.25 -170.01 0.44 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.48 -0.782 . . . . 3.05 109.969 175.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.418 ' O ' ' HB ' ' A' ' 25' ' ' ILE . . . -57.91 -36.26 72.2 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.842 0.682 . . . . 1.5 112.842 -172.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.421 HG23 ' O ' ' A' ' 5' ' ' ARG . 48.2 mt 69.13 89.6 0.09 OUTLIER Pre-proline 0 C--N 1.319 -0.742 0 CA-C-O 121.144 0.497 . . . . 0.63 110.744 -177.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -70.87 -5.12 16.18 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 123.061 2.507 . . . . 0.97 112.165 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.4 m -87.82 -18.14 29.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.167 -0.47 . . . . 1.1 111.124 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.96 -6.06 8.46 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.935 0.346 . . . . 0.89 111.935 -176.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 58.79 45.31 15.73 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.764 0.792 . . . . 2.21 109.906 -177.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 29.7 m0 -105.74 175.62 5.44 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.689 -1.141 . . . . 1.02 110.488 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.442 ' O ' ' HG2' ' A' ' 33' ' ' MET . . . -106.77 163.57 13.39 Favored Glycine 0 N--CA 1.44 -1.095 0 N-CA-C 110.889 -0.884 . . . . 1.67 110.889 171.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.07 123.31 20.73 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.702 0.287 . . . . 0.57 110.285 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.442 ' HG2' ' O ' ' A' ' 31' ' ' GLY . 2.6 ptt? -164.54 153.83 13.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.193 0.52 . . . . 0.84 111.58 -175.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.677 HG22 HG22 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -78.38 106.94 10.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.012 -0.995 . . . . 0.75 110.101 179.731 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 37.8 ttm -129.92 147.83 51.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.493 -0.321 . . . . 1.6 111.616 -176.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.535 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 40.4 tt0 -86.62 136.3 33.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.828 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -116.88 139.72 50.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.079 -0.51 . . . . 0.37 110.079 176.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.7 133.43 34.02 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.458 -0.337 . . . . 0.34 110.45 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.427 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . . . -93.22 149.04 36.76 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.432 -0.349 . . . . 0.6 111.013 -178.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 39' ' ' ALA . 17.6 Cg_exo -67.01 159.55 51.46 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.735 2.29 . . . . 1.1 111.529 174.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -62.67 -4.62 5.97 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 122.954 2.436 . . . . 2.05 113.189 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.89 -15.48 51.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.882 0.373 . . . . 1.33 111.066 178.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.39 179.77 45.13 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.833 -0.699 . . . . 0.93 112.457 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.644 ' HG ' HD21 ' A' ' 18' ' ' LEU . 2.6 mm? -103.1 150.79 38.2 Favored Pre-proline 0 C--N 1.318 -0.761 0 CA-C-O 120.994 0.426 . . . . 0.97 111.074 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 5.1 Cg_exo -80.1 -163.53 0.23 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 123.597 2.865 . . . . 0.69 111.884 171.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.676 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 0.8 OUTLIER -117.06 170.27 8.78 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.212 -0.904 . . . . 2.12 110.014 177.68 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.15 13.38 74.37 Favored Glycine 0 N--CA 1.454 -0.143 0 C-N-CA 121.075 -0.583 . . . . 0.63 111.65 -177.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.705 ' HB3' HG11 ' A' ' 54' ' ' VAL . 0.9 OUTLIER -140.95 42.81 1.82 Allowed 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 121.21 0.529 . . . . 1.06 110.526 -178.155 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.6 ' HA ' HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -96.52 172.02 8.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.821 -0.627 . . . . 3.0 110.283 -176.678 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.468 ' HB2' ' HA ' ' A' ' 12' ' ' SER . . . -50.84 106.51 0.13 Allowed 'General case' 0 C--O 1.231 0.126 0 CA-C-O 121.02 0.438 . . . . 0.37 110.957 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.75 -15.23 7.52 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.584 -0.735 . . . . 0.38 112.114 -177.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -89.93 157.65 17.77 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 121.294 0.569 . . . . 0.53 111.105 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.454 ' HD3' ' HA ' ' A' ' 76' ' ' GLN . 23.2 ttt180 -117.57 122.63 44.16 Favored 'General case' 0 N--CA 1.438 -1.028 0 N-CA-C 108.337 -0.986 . . . . 3.26 108.337 172.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.705 HG11 ' HB3' ' A' ' 48' ' ' LEU . 8.4 m -131.27 162.25 39.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.131 0.491 . . . . 0.3 111.585 -174.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -114.38 117.62 31.55 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.572 -0.74 . . . . 0.16 109.706 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.557 ' HB2' HD11 ' A' ' 68' ' ' LEU . 7.7 p90 -127.97 168.0 15.89 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.704 0.764 . . . . 0.36 112.496 -173.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.6 p -126.04 140.43 52.6 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.719 -1.128 . . . . 1.08 109.0 172.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.403 ' CE2' ' HG ' ' A' ' 60' ' ' LEU . 11.7 p90 -137.54 154.85 49.76 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.694 0.283 . . . . 0.41 110.319 -177.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.498 ' HG3' ' CG2' ' A' ' 69' ' ' VAL . 31.8 mtm180 -104.18 128.01 51.83 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 110.01 -0.367 . . . . 3.07 110.01 178.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 65' ' ' MET . 7.0 mt -96.89 108.04 20.66 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.934 -0.576 . . . . 1.04 110.065 175.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.401 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 6.3 m-20 -80.52 161.54 64.07 Favored Pre-proline 0 C--N 1.311 -1.093 0 N-CA-C 108.519 -0.919 . . . . 1.87 108.519 176.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.401 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 22.2 Cg_exo -63.42 -17.94 62.32 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.919 2.413 . . . . 1.62 112.903 -167.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -77.07 -17.92 58.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.146 -0.479 . . . . 2.43 110.339 -178.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.77 30.45 6.8 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 110.904 -0.879 . . . . 1.08 110.904 -174.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.468 ' O ' HD23 ' A' ' 60' ' ' LEU . 24.5 mmt -95.62 135.61 37.07 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 115.549 -0.325 . . . . 2.74 110.209 -179.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -109.05 98.25 7.74 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.648 -0.706 . . . . 0.54 109.464 -176.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.7 m -107.46 116.85 32.67 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.523 -0.762 . . . . 0.71 110.627 -174.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.557 HD11 ' HB2' ' A' ' 56' ' ' PHE . 29.1 tp -70.53 140.95 51.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.799 -0.637 . . . . 1.18 110.011 -178.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.502 HG12 HG23 ' A' ' 70' ' ' THR . 46.4 t -111.99 -64.09 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.391 0.615 . . . . 1.01 110.029 -178.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.502 HG23 HG12 ' A' ' 69' ' ' VAL . 26.7 p -142.8 138.48 30.42 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.35 -0.841 . . . . 0.42 110.124 -176.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.523 ' HB ' ' HB3' ' A' ' 56' ' ' PHE . 7.2 p -133.96 133.05 56.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 121.053 0.454 . . . . 0.32 110.159 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -126.37 143.61 46.58 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.07 -0.513 . . . . 0.29 110.261 -178.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -48.59 124.7 11.29 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 123.247 2.631 . . . . 0.81 113.585 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.945 ' HB2' ' HA ' ' A' ' 78' ' ' ALA . 2.4 pt20 -117.35 176.21 5.26 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 107.18 -1.415 . . . . 1.08 107.18 168.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 p -148.78 85.28 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.246 0 CA-C-O 121.566 0.698 . . . . 1.64 110.347 177.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.454 ' HA ' ' HD3' ' A' ' 53' ' ' ARG . 16.8 mm100 65.55 110.24 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 114.248 -1.342 . . . . 2.57 111.958 178.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.7 p 52.38 30.93 8.78 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.344 -0.844 . . . . 3.72 111.766 -175.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.945 ' HA ' ' HB2' ' A' ' 74' ' ' GLN . . . 66.42 -75.99 0.05 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 114.94 -1.027 . . . . 3.65 111.908 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 172.76 -156.58 25.21 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.434 -0.666 . . . . 5.36 111.434 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.58 127.51 35.26 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.753 0.311 . . . . 6.59 110.999 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -108.48 127.98 26.46 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.032 -0.531 . . . . 10.72 109.863 176.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo . . . . . 0 C--O 1.247 0.94 0 C-N-CA 122.693 2.262 . . . . 11.77 112.534 179.92 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.639 0 N-CA-C 111.748 -0.541 . . . . 1.67 111.748 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.65 137.1 24.46 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.909 2.406 . . . . 0.95 112.426 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -103.89 111.03 23.39 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.498 -0.774 . . . . 1.13 109.691 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.476 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 58.3 m-70 -100.41 143.33 30.72 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.698 -0.482 . . . . 0.55 109.698 -175.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.408 ' HD3' ' HB3' ' A' ' 57' ' ' SER . 10.6 mmt180 -91.68 147.34 23.07 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.018 -0.364 . . . . 2.51 110.018 177.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -148.98 140.01 22.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.04 0.448 . . . . 0.41 111.101 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.6 m -116.1 152.2 17.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.945 -0.571 . . . . 0.24 109.871 173.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.806 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 172.98 -171.95 44.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.234 -0.984 . . . . 0.28 112.522 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.663 ' HG3' ' HG3' ' A' ' 53' ' ' ARG . 46.5 mtm180 -109.63 130.53 55.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.94 0.4 . . . . 3.19 110.392 -178.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.538 HD11 HG21 ' A' ' 54' ' ' VAL . 39.8 mm -65.07 124.62 20.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 115.865 -0.607 . . . . 0.23 110.109 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -83.92 -51.14 7.4 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.31 -0.626 . . . . 1.13 109.31 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.4 m -159.97 163.42 34.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.803 -0.635 . . . . 0.75 110.211 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.821 HG23 HD22 ' A' ' 18' ' ' LEU . 93.1 mt -107.85 139.13 31.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.33 -0.619 . . . . 0.77 109.33 177.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -114.57 -162.57 14.11 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.764 -0.732 . . . . 1.06 112.788 -177.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -82.84 -42.16 18.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.156 0.503 . . . . 2.51 110.325 -178.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -139.15 5.89 2.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.807 -0.633 . . . . 3.93 111.244 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 p -155.45 145.77 21.85 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.903 -0.59 . . . . 0.94 109.757 176.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.821 HD22 HG23 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -120.72 141.83 50.08 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 109.383 -0.599 . . . . 1.03 109.383 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.493 HG22 HG22 ' A' ' 34' ' ' THR . 17.3 mt -91.13 126.77 43.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.33 -0.618 . . . . 0.56 109.33 178.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.8 mt -127.64 118.01 48.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.973 -0.558 . . . . 0.21 110.529 -176.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.722 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -73.18 91.03 1.62 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.052 -0.721 . . . . 0.22 109.052 169.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.806 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 25.7 p80 -88.96 151.07 22.52 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.059 -0.519 . . . . 0.27 111.153 -174.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -69.27 -165.18 0.07 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.011 -0.995 . . . . 3.05 111.401 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.578 ' O ' ' HD3' ' A' ' 26' ' ' PRO . . . -70.94 112.74 7.34 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 114.905 -1.043 . . . . 1.5 109.915 175.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.537 HG22 ' H ' ' A' ' 28' ' ' ALA . 60.6 mt -93.24 102.39 7.25 Favored Pre-proline 0 C--N 1.317 -0.838 0 CA-C-N 115.6 -0.727 . . . . 0.63 110.438 178.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.578 ' HD3' ' O ' ' A' ' 24' ' ' ALA . 2.8 Cg_exo -76.38 -8.67 18.59 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.614 2.209 . . . . 0.97 111.782 179.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.476 ' HB2' ' HB3' ' A' ' 4' ' ' HIS . 1.4 m -83.61 -25.14 31.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.148 -0.478 . . . . 1.1 110.513 178.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.537 ' H ' HG22 ' A' ' 25' ' ' ILE . . . -123.93 0.63 8.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.405 -0.361 . . . . 0.89 111.674 -177.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 64.04 30.39 14.0 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.974 0.416 . . . . 2.21 111.33 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 54.4 m0 -103.2 108.9 20.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.992 0.425 . . . . 1.02 109.891 178.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -89.16 68.87 2.68 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.829 -0.623 . . . . 1.67 113.143 -172.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.431 ' HA ' ' O ' ' A' ' 22' ' ' HIS . . . 70.58 119.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.65 0.738 . . . . 0.57 112.585 174.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.409 ' HG3' ' HG3' ' A' ' 35' ' ' MET . 23.0 ptp -171.77 146.81 2.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.263 -0.88 . . . . 0.84 110.028 178.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.722 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 5.4 m -82.13 103.6 11.86 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.239 -0.437 . . . . 0.75 109.888 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.409 ' HG3' ' HG3' ' A' ' 33' ' ' MET . 65.2 mtp -116.98 165.08 13.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.935 0.397 . . . . 1.6 111.851 -175.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.425 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 35.7 tt0 -106.34 128.99 54.42 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.287 -0.869 . . . . 1.0 109.983 178.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -114.09 129.6 56.61 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.475 -0.33 . . . . 0.37 110.417 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.47 141.07 37.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.075 -0.511 . . . . 0.34 110.909 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.16 145.36 83.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.178 -0.465 . . . . 0.6 111.652 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.45 170.08 19.31 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.609 2.206 . . . . 1.1 111.217 173.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.57 -16.28 35.38 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 122.829 2.353 . . . . 2.05 113.166 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.1 -11.09 56.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.892 0.377 . . . . 1.33 111.256 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.09 -160.52 29.7 Favored Glycine 0 N--CA 1.435 -1.367 0 N-CA-C 111.229 -0.748 . . . . 0.93 111.229 -177.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.67 ' HG ' HD21 ' A' ' 18' ' ' LEU . 2.7 mm? -101.0 142.37 24.48 Favored Pre-proline 0 C--N 1.314 -0.964 0 CA-C-O 120.836 0.351 . . . . 0.97 110.66 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.486 ' HD2' HD21 ' A' ' 48' ' ' LEU . 52.2 Cg_endo -82.96 -160.96 0.13 Allowed 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 122.935 2.424 . . . . 0.69 111.503 170.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -113.05 159.98 18.61 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.729 -0.668 . . . . 2.12 109.343 177.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.03 20.87 24.67 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.779 -0.724 . . . . 0.63 111.88 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.836 HD23 HG11 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -131.61 50.09 2.26 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.975 0.361 . . . . 1.06 111.975 -176.273 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.713 ' HA ' HD11 ' A' ' 13' ' ' ILE . 6.9 ptpp? -95.17 160.98 14.3 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.377 -0.529 . . . . 3.0 111.035 -173.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.04 111.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.405 -0.816 . . . . 0.37 111.3 176.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.23 -9.65 28.93 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.886 -0.673 . . . . 0.38 112.848 178.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.541 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 3.5 m-20 -82.76 144.56 30.1 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 117.138 0.469 . . . . 0.53 110.317 176.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.663 ' HG3' ' HG3' ' A' ' 9' ' ' ARG . 12.2 ttt180 -104.28 101.52 11.23 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.173 -1.047 . . . . 3.26 108.173 174.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.538 HG21 HD11 ' A' ' 10' ' ' ILE . 18.3 m -106.84 163.14 5.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 120.938 0.399 . . . . 0.3 111.35 -169.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -113.27 111.59 22.29 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.91 -0.774 . . . . 0.16 108.91 174.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.927 ' HB3' HG23 ' A' ' 71' ' ' VAL . 25.3 p90 -129.92 178.64 6.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.311 0.577 . . . . 0.36 112.506 -170.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.475 ' OG ' ' HB ' ' A' ' 69' ' ' VAL . 66.2 p -136.93 151.46 49.07 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.298 -0.865 . . . . 1.08 110.062 179.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.458 ' HA ' HG23 ' A' ' 69' ' ' VAL . 44.5 p90 -145.97 153.6 40.97 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.915 0.388 . . . . 0.41 110.38 177.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.464 ' HG3' ' CG2' ' A' ' 69' ' ' VAL . 83.8 mtt180 -114.8 137.3 52.1 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.685 -0.487 . . . . 3.07 109.685 177.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 65' ' ' MET . 14.1 mt -90.89 111.42 22.83 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.218 -0.66 . . . . 1.04 109.218 174.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -76.45 162.77 69.71 Favored Pre-proline 0 C--N 1.315 -0.904 0 N-CA-C 108.108 -1.071 . . . . 1.87 108.108 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -68.15 1.91 3.11 Favored 'Trans proline' 0 CA--C 1.527 0.133 0 C-N-CA 122.642 2.228 . . . . 1.62 112.885 -171.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.64 ' HB3' ' HG3' ' A' ' 65' ' ' MET . 17.0 t-80 -101.05 -11.66 19.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.836 -0.62 . . . . 2.43 109.507 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.13 31.56 8.42 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.171 -0.922 . . . . 1.08 111.347 -175.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.64 ' HG3' ' HB3' ' A' ' 63' ' ' HIS . 54.2 mtm -96.34 152.51 18.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.655 -0.272 . . . . 2.74 110.267 -177.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.61 97.13 5.83 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 109.073 -0.714 . . . . 0.54 109.073 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.9 m -110.07 125.51 53.04 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.495 -0.775 . . . . 0.71 110.751 -174.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.2 tp -70.43 137.82 50.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.533 -0.758 . . . . 1.18 110.105 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.475 ' HB ' ' OG ' ' A' ' 57' ' ' SER . 22.8 t -102.99 -63.22 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.201 0.524 . . . . 1.01 110.142 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.8 p -139.97 154.26 47.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.613 -0.721 . . . . 0.42 109.673 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.927 HG23 ' HB3' ' A' ' 56' ' ' PHE . 9.8 p -139.45 130.78 33.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.102 -0.703 . . . . 0.32 109.102 173.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -121.42 136.93 26.3 Favored Pre-proline 0 C--N 1.315 -0.915 0 N-CA-C 109.958 -0.386 . . . . 0.29 109.958 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -66.42 103.64 0.68 Allowed 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 122.013 1.809 . . . . 0.81 111.945 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.41 ' HG3' ' N ' ' A' ' 75' ' ' VAL . 8.7 pt20 -105.26 179.35 4.3 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 107.566 -1.272 . . . . 1.08 107.566 172.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.49 HG22 ' H ' ' A' ' 77' ' ' THR . 1.0 OUTLIER -134.25 139.94 47.08 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 N-CA-C 108.492 -0.929 . . . . 1.64 108.492 176.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.406 ' HG3' ' N ' ' A' ' 77' ' ' THR . 15.3 pt20 -38.5 -37.72 0.33 Allowed 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.547 0.943 . . . . 2.57 113.547 -178.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.49 ' H ' HG22 ' A' ' 75' ' ' VAL . 35.6 p -62.41 -8.07 5.48 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 113.014 0.746 . . . . 3.72 113.014 -176.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.6 -18.0 58.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.743 0.306 . . . . 3.65 111.042 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -148.13 -35.59 0.05 OUTLIER Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.801 -0.714 . . . . 5.36 112.449 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -100.05 169.71 8.99 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.686 0.279 . . . . 6.59 110.255 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.459 ' NZ ' ' HB3' ' A' ' 81' ' ' LYS . 9.3 mtpm? -102.64 132.33 21.42 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.328 -0.396 . . . . 10.72 110.697 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.407 ' HD3' HG22 ' A' ' 77' ' ' THR . 44.8 Cg_endo . . . . . 0 C--O 1.253 1.268 0 C-N-CA 122.579 2.186 . . . . 11.77 111.27 172.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.439 ' HA2' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.485 1.904 0 N-CA-C 111.878 -0.489 . . . . 1.67 111.878 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.439 ' HD3' ' HA2' ' A' ' 1' ' ' GLY . 3.0 Cg_exo -74.57 -178.0 3.74 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.802 2.335 . . . . 0.95 112.332 -177.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 58' ' ' PHE . 36.9 tt0 -77.69 136.5 38.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.171 -0.468 . . . . 1.13 110.297 178.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -126.21 143.41 51.15 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.886 -0.783 . . . . 0.55 108.886 175.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.582 ' HD2' ' HB3' ' A' ' 57' ' ' SER . 16.7 mmm180 -83.43 133.76 34.91 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.92 -0.4 . . . . 2.51 109.92 177.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.459 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . . . -137.51 141.19 41.48 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-O 121.165 0.507 . . . . 0.41 110.603 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.9 m -119.23 149.43 21.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.876 -0.602 . . . . 0.24 109.918 173.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.536 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -179.12 -160.22 24.61 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.578 -0.82 . . . . 0.28 112.284 179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.2 ttm-85 -128.17 132.18 48.88 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.95 -0.389 . . . . 3.19 109.95 -177.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.591 HD11 HG21 ' A' ' 54' ' ' VAL . 30.4 mm -63.12 131.37 28.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.923 -0.581 . . . . 0.23 110.12 -178.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -98.45 -41.85 7.6 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.582 -0.525 . . . . 1.13 109.582 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -155.95 163.44 39.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.923 -0.581 . . . . 0.75 109.587 174.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.436 HG13 ' HD3' ' A' ' 49' ' ' LYS . 14.5 mm -115.7 153.88 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.431 0.634 . . . . 0.77 111.408 -178.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.581 ' HA3' ' O ' ' A' ' 17' ' ' SER . . . -149.04 159.61 28.1 Favored Glycine 0 N--CA 1.437 -1.259 0 N-CA-C 110.217 -1.153 . . . . 1.06 110.217 176.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.482 ' CD ' ' H ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -72.75 -31.36 64.88 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 120.969 0.414 . . . . 2.51 110.754 -175.816 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.63 -4.96 4.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.093 -0.503 . . . . 3.93 111.974 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.581 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 2.3 p -158.73 137.87 11.42 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.289 -0.263 . . . . 0.94 110.289 176.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.612 HD21 ' HG ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -142.36 148.54 38.08 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.256 0.55 . . . . 1.03 111.598 -176.747 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.545 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 38.8 mt -94.29 128.5 45.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.409 -0.814 . . . . 0.56 110.489 -174.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.9 mt -129.1 124.51 60.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.098 0.475 . . . . 0.21 110.96 -178.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.487 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -76.88 92.28 3.63 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.324 -0.621 . . . . 0.22 109.324 171.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.536 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 31.5 p80 -92.51 153.28 19.18 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.988 -0.551 . . . . 0.27 110.313 -177.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -72.08 -166.03 0.21 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.025 -0.534 . . . . 3.05 110.213 174.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.41 -25.76 66.92 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.954 0.353 . . . . 1.5 111.954 -173.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.9 mt 62.7 83.77 0.2 Allowed Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 120.889 0.376 . . . . 0.63 110.779 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.44 -16.58 55.47 Favored 'Trans proline' 0 CA--C 1.526 0.116 0 C-N-CA 122.602 2.201 . . . . 0.97 112.123 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.3 t -75.46 -22.12 57.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.985 -0.552 . . . . 1.1 110.808 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.3 -3.69 8.43 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.474 0.546 . . . . 0.89 112.474 -174.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 60.27 41.61 16.27 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.47 0.653 . . . . 2.21 110.722 -178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -96.05 176.28 6.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.341 -0.845 . . . . 1.02 110.88 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -102.42 166.75 17.37 Favored Glycine 0 N--CA 1.441 -1.013 0 C-N-CA 120.535 -0.84 . . . . 1.67 111.113 170.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.98 111.14 18.57 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.525 -0.546 . . . . 0.57 109.525 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 6.4 ptt? -158.97 159.29 34.69 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.258 0.551 . . . . 0.84 111.277 -172.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 21.9 m -92.56 104.32 16.64 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.135 -0.939 . . . . 0.75 110.628 -176.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.6 mmm -122.97 163.83 19.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.899 -0.591 . . . . 1.6 111.196 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.545 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 42.6 tt0 -101.22 140.18 35.87 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.701 -0.682 . . . . 1.0 110.934 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -115.54 139.24 50.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.661 -0.7 . . . . 0.37 110.188 -177.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.02 129.23 35.01 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.951 -0.568 . . . . 0.34 109.985 177.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.92 152.64 44.64 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 116.369 -0.378 . . . . 0.6 111.11 -175.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.479 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 36.7 Cg_exo -58.05 145.26 92.67 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.613 2.208 . . . . 1.1 111.448 173.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 40' ' ' PRO . 32.6 Cg_exo -60.32 -14.62 30.6 Favored 'Trans proline' 0 CA--C 1.53 0.323 0 C-N-CA 122.871 2.381 . . . . 2.05 112.617 178.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.29 -3.79 59.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.91 0.386 . . . . 1.33 110.959 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.14 177.62 47.47 Favored Glycine 0 N--CA 1.439 -1.12 0 C-N-CA 120.907 -0.663 . . . . 0.93 112.669 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.612 ' HG ' HD21 ' A' ' 18' ' ' LEU . 2.7 mm? -96.46 157.07 36.04 Favored Pre-proline 0 C--N 1.317 -0.843 0 CA-C-N 115.182 -0.509 . . . . 0.97 110.746 -178.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.541 ' HD2' HD21 ' A' ' 48' ' ' LEU . 12.6 Cg_exo -71.46 -163.78 0.14 Allowed 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.673 2.249 . . . . 0.69 111.727 170.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.97 156.26 25.39 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.666 -0.697 . . . . 2.12 110.151 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.86 16.19 42.76 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.672 -0.775 . . . . 0.63 112.383 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.541 HD21 ' HD2' ' A' ' 45' ' ' PRO . 0.9 OUTLIER -138.53 53.42 1.79 Allowed 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 121.116 0.484 . . . . 1.06 111.624 -175.705 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.436 ' HD3' HG13 ' A' ' 13' ' ' ILE . 75.7 mmtt -96.3 170.45 9.23 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.343 -0.39 . . . . 3.0 110.867 -177.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.2 115.58 1.04 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.779 -0.646 . . . . 0.37 111.374 176.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.19 -15.93 25.18 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.164 -0.541 . . . . 0.38 112.822 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -84.85 157.81 20.81 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.15 0.5 . . . . 0.53 111.795 -177.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.745 ' HD3' ' HA ' ' A' ' 76' ' ' GLN . 26.0 ttt85 -104.01 127.26 51.56 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.418 -0.81 . . . . 3.26 109.013 172.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.604 ' HA ' ' H ' ' A' ' 74' ' ' GLN . 15.7 m -132.36 158.06 43.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.922 0.391 . . . . 0.3 111.361 -177.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -115.36 118.18 32.52 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.917 -0.772 . . . . 0.16 108.917 174.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.728 ' HB3' HG23 ' A' ' 71' ' ' VAL . 27.9 p90 -135.54 174.08 11.0 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.56 0.578 . . . . 0.36 112.56 -169.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.582 ' HB3' ' HD2' ' A' ' 5' ' ' ARG . 90.0 p -135.83 147.3 48.23 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.336 -0.847 . . . . 1.08 109.232 175.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.413 ' O ' ' HA ' ' A' ' 3' ' ' GLU . 38.5 p90 -141.45 150.25 42.03 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.66 -0.416 . . . . 0.41 111.156 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -104.33 147.03 27.97 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.405 -0.816 . . . . 3.07 109.36 174.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.6 mt -107.33 130.69 54.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.102 0.477 . . . . 1.04 112.023 -175.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.401 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 52.2 m-20 -89.96 166.63 19.66 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.419 -0.809 . . . . 1.87 108.945 172.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.401 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 10.4 Cg_exo -72.2 1.16 6.32 Favored 'Trans proline' 0 N--CA 1.464 -0.234 0 C-N-CA 123.183 2.588 . . . . 1.62 112.485 -177.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -99.25 -0.75 40.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.224 -0.444 . . . . 2.43 110.345 175.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.66 24.86 57.72 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 111.102 -0.799 . . . . 1.08 111.102 -175.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.496 ' HA ' ' CE ' ' A' ' 65' ' ' MET . 9.5 mmt -87.88 146.07 25.75 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 109.687 -0.486 . . . . 2.74 109.687 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.27 106.83 13.19 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.168 0.509 . . . . 0.54 109.984 -173.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.15 118.31 34.48 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.904 -0.589 . . . . 0.71 110.267 -177.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.54 HD11 ' HB2' ' A' ' 56' ' ' PHE . 30.7 tp -72.28 114.22 10.17 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.802 -0.635 . . . . 1.18 110.558 -175.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.412 HG23 ' HA ' ' A' ' 58' ' ' PHE . 18.7 t -85.25 -57.75 4.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.815 -0.63 . . . . 1.01 110.137 -177.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.1 p -140.08 148.38 41.66 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.894 -0.594 . . . . 0.42 109.677 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.728 HG23 ' HB3' ' A' ' 56' ' ' PHE . 13.8 p -146.79 123.54 3.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.315 0.579 . . . . 0.32 110.568 173.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -112.95 131.95 22.55 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 115.782 -0.645 . . . . 0.29 110.095 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.593 ' HA ' HG12 ' A' ' 54' ' ' VAL . 55.5 Cg_exo -52.52 114.61 1.75 Allowed 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.826 2.351 . . . . 0.81 111.95 177.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.604 ' H ' ' HA ' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -88.46 174.47 8.1 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.758 -0.655 . . . . 1.08 110.493 -179.617 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.439 ' O ' ' HG3' ' A' ' 76' ' ' GLN . 5.1 m -137.76 93.01 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.036 0 CA-C-N 114.808 -1.087 . . . . 1.64 108.398 175.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.745 ' HA ' ' HD3' ' A' ' 53' ' ' ARG . 6.9 pt20 48.0 -153.14 0.09 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.32 -0.854 . . . . 2.57 110.722 -174.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.0 m -77.59 101.88 6.74 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 108.536 -0.913 . . . . 3.72 108.536 172.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.9 21.63 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.76 -0.655 . . . . 3.65 112.459 -172.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 144.02 -151.16 23.17 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.644 -0.789 . . . . 5.36 112.091 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -137.46 147.13 45.08 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.216 -0.29 . . . . 6.59 110.216 -178.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 50.9 tttm -104.84 132.74 20.62 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.32 -0.4 . . . . 10.72 110.877 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 81' ' ' LYS . 25.4 Cg_exo . . . . . 0 C--O 1.248 1.007 0 C-N-CA 122.702 2.268 . . . . 11.77 111.274 172.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.406 ' HA3' ' O ' ' A' ' 60' ' ' LEU . . . . . . . . 0 N--CA 1.482 1.733 0 N-CA-C 111.921 -0.472 . . . . 1.67 111.921 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.25 146.45 57.23 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.804 2.336 . . . . 0.95 112.875 -177.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.405 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 33.4 tt0 -112.38 133.06 54.68 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.313 -0.625 . . . . 1.13 109.313 -179.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.493 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 91.7 m-70 -134.1 159.46 40.77 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.345 -0.242 . . . . 0.55 110.345 -174.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.793 ' HG2' ' HB3' ' A' ' 57' ' ' SER . 50.6 mtt-85 -107.27 158.9 16.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.755 0.312 . . . . 2.51 111.176 178.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -158.87 153.73 24.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.611 -0.722 . . . . 0.41 110.168 177.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.475 ' O ' ' HG3' ' A' ' 23' ' ' GLU . 29.1 m -117.75 147.48 21.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.604 -0.517 . . . . 0.24 109.604 173.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -169.19 176.17 43.34 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 119.867 -1.158 . . . . 0.28 113.097 -176.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -110.52 129.89 55.69 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.196 -1.038 . . . . 3.19 108.196 175.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.606 HD11 HG21 ' A' ' 54' ' ' VAL . 41.7 mm -60.3 128.09 20.81 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-O 121.126 0.489 . . . . 0.23 110.814 -176.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -88.68 -43.81 11.04 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.438 -0.801 . . . . 1.13 109.496 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.0 t -172.45 158.02 4.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.903 -0.589 . . . . 0.75 110.49 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.826 HG23 HD22 ' A' ' 18' ' ' LEU . 71.5 mt -107.59 134.0 50.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.986 -0.552 . . . . 0.77 110.123 178.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.8 -159.45 20.58 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.126 -0.559 . . . . 1.06 112.418 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.69 -45.77 42.18 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.442 0.639 . . . . 2.51 109.764 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.01 15.05 1.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.056 -0.975 . . . . 3.93 110.738 -177.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.567 ' HB2' ' HG2' ' A' ' 36' ' ' GLU . 3.2 p -157.27 142.88 17.43 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.712 -0.676 . . . . 0.94 109.693 179.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.826 HD22 HG23 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -125.63 141.13 52.18 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 120.518 -0.473 . . . . 1.03 110.052 -177.749 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.642 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 21.5 mt -88.7 128.58 40.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 108.933 -0.765 . . . . 0.56 108.933 178.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 56.4 mt -126.36 125.52 67.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.592 -0.276 . . . . 0.21 110.693 -177.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.93 91.24 3.01 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.947 -0.76 . . . . 0.22 108.947 172.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -95.98 159.93 14.72 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.75 -0.659 . . . . 0.27 110.583 -177.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 7' ' ' VAL . 1.3 pp20? -65.7 -165.69 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.412 -0.813 . . . . 3.05 111.364 175.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.593 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -61.95 -38.81 89.91 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.334 0.494 . . . . 1.5 112.334 -172.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.425 HD12 ' CE3' ' A' ' 30' ' ' TRP . 18.1 mt 70.72 83.49 0.16 Allowed Pre-proline 0 C--N 1.318 -0.774 0 CA-C-N 115.797 -0.638 . . . . 0.63 110.322 -172.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -70.26 -2.03 9.86 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 123.228 2.618 . . . . 0.97 111.383 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.493 ' CB ' ' HB3' ' A' ' 4' ' ' HIS . 16.4 m -89.6 -21.49 22.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.239 -0.891 . . . . 1.1 110.821 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.27 1.72 9.1 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.064 -0.255 . . . . 0.89 111.658 -176.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 64.7 32.72 11.04 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.366 0.416 . . . . 2.21 111.301 177.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.425 ' CE3' HD12 ' A' ' 25' ' ' ILE . 53.5 m0 -95.16 173.05 7.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.332 -0.395 . . . . 1.02 110.268 177.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -125.02 42.71 1.48 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.451 -0.881 . . . . 1.67 113.381 -175.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.593 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 66.3 114.08 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.012 0.525 . . . . 0.57 112.364 175.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 19.9 ptt? -163.02 158.07 21.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.119 -0.491 . . . . 0.84 110.834 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.97 104.4 8.51 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 115.73 -0.668 . . . . 0.75 110.983 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 30.2 ttm -120.02 141.99 49.22 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.084 -0.507 . . . . 1.6 111.59 -176.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.642 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 39.8 tt0 -94.02 121.47 35.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.336 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -102.01 136.35 41.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.197 -0.456 . . . . 0.37 110.386 -177.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.89 136.63 40.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.048 -0.524 . . . . 0.34 110.671 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.84 140.42 77.73 Favored Pre-proline 0 C--O 1.235 0.335 0 CA-C-O 120.874 0.368 . . . . 0.6 111.421 -177.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 45.5 Cg_endo -68.78 159.67 52.79 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.744 2.296 . . . . 1.1 111.407 175.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 40' ' ' PRO . 34.4 Cg_exo -59.5 -17.17 39.68 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 123.061 2.508 . . . . 2.05 113.01 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.0 -14.72 53.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.566 -0.288 . . . . 1.33 111.67 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.82 178.43 34.98 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.656 -0.783 . . . . 0.93 111.997 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -96.95 139.63 21.66 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-O 120.991 0.424 . . . . 0.97 110.848 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.488 ' HD2' HD21 ' A' ' 48' ' ' LEU . 51.0 Cg_exo -59.81 -178.59 0.18 Allowed 'Trans proline' 0 CA--C 1.519 -0.259 0 C-N-CA 123.927 3.085 . . . . 0.69 113.482 170.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.932 HE21 ' HA ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -114.47 112.5 23.09 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 114.745 -1.116 . . . . 2.12 109.585 177.541 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 135.71 27.07 0.45 Allowed Glycine 0 C--N 1.31 -0.874 0 CA-C-N 114.703 -1.135 . . . . 0.63 111.633 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.488 HD21 ' HD2' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -135.35 48.98 2.21 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 111.886 0.328 . . . . 1.06 111.886 -176.633 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.586 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 7.7 ptpp? -95.71 167.89 11.0 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.016 -0.364 . . . . 3.0 110.016 -177.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.86 112.0 0.5 Allowed 'General case' 0 C--O 1.233 0.193 0 O-C-N 123.324 0.39 . . . . 0.37 111.202 176.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 110.08 -13.72 31.42 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.849 -0.691 . . . . 0.38 112.928 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.461 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 94.8 m-20 -83.22 140.69 32.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 117.003 0.402 . . . . 0.53 110.183 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.504 ' HB3' ' HG2' ' A' ' 74' ' ' GLN . 0.4 OUTLIER -97.55 123.55 41.48 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.594 -0.521 . . . . 3.26 109.594 174.892 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.671 HG12 ' HA ' ' A' ' 73' ' ' PRO . 15.0 m -128.33 151.39 35.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-O 121.042 0.449 . . . . 0.3 111.448 -176.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.97 123.13 48.63 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.621 -0.881 . . . . 0.16 108.621 174.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.634 ' HB3' HG23 ' A' ' 71' ' ' VAL . 17.8 p90 -141.71 172.43 12.7 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.917 0.71 . . . . 0.36 112.917 -168.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.793 ' HB3' ' HG2' ' A' ' 5' ' ' ARG . 12.4 p -131.46 144.78 51.41 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 114.776 -1.102 . . . . 1.08 109.504 173.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -130.39 148.61 52.23 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.232 -0.44 . . . . 0.41 109.972 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 59' ' ' ARG . 22.6 ttp180 -114.77 118.63 34.13 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.986 -0.552 . . . . 3.07 109.864 -178.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.437 HD23 ' O ' ' A' ' 65' ' ' MET . 14.6 mt -89.58 141.6 28.45 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 115.63 -0.714 . . . . 1.04 110.292 -178.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.535 ' CG ' ' HG2' ' A' ' 65' ' ' MET . 8.1 p-10 -103.36 169.64 7.16 Favored Pre-proline 0 C--N 1.316 -0.858 0 N-CA-C 109.68 -0.489 . . . . 1.87 109.68 173.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.409 ' CD ' ' HB2' ' A' ' 61' ' ' ASP . 17.4 Cg_exo -65.22 -11.59 30.79 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.879 2.386 . . . . 1.62 111.747 -179.017 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -85.21 -26.97 26.41 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.315 -0.624 . . . . 2.43 109.315 -178.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.01 30.21 5.52 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.337 -0.847 . . . . 1.08 112.723 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.535 ' HG2' ' CG ' ' A' ' 61' ' ' ASP . 25.4 ptm -102.57 139.69 37.83 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.246 -0.65 . . . . 2.74 109.246 176.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -106.38 102.87 12.24 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.341 0.591 . . . . 0.54 109.599 -177.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.79 133.56 42.93 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.594 -0.73 . . . . 0.71 110.238 -175.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 26.3 tp -76.0 121.33 22.57 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.114 -0.494 . . . . 1.18 109.859 -178.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.3 t -89.12 -63.14 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.357 0.599 . . . . 1.01 110.044 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.4 p -144.91 144.24 30.98 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.348 -0.842 . . . . 0.42 109.646 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.634 HG23 ' HB3' ' A' ' 56' ' ' PHE . 9.4 p -141.14 129.01 22.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 109.77 -0.456 . . . . 0.32 109.77 178.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -120.66 127.36 26.3 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 116.094 -0.503 . . . . 0.29 110.128 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.671 ' HA ' HG12 ' A' ' 54' ' ' VAL . 60.8 Cg_exo -52.5 122.15 10.31 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.596 2.197 . . . . 0.81 111.539 177.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.504 ' HG2' ' HB3' ' A' ' 53' ' ' ARG . 0.6 OUTLIER -103.74 176.58 5.1 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.378 -0.601 . . . . 1.08 109.378 -178.092 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.485 ' O ' ' HB2' ' A' ' 76' ' ' GLN . 12.2 m -133.81 70.58 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.151 0 CA-C-N 115.453 -0.794 . . . . 1.64 109.132 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.485 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 15.6 mm100 71.34 -174.61 0.17 Allowed 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 114.652 -1.158 . . . . 2.57 109.26 -171.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.9 m -66.52 96.75 0.39 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.314 0.578 . . . . 3.72 111.262 -174.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -129.48 93.24 3.5 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.192 -0.913 . . . . 3.65 109.619 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -95.05 153.91 20.98 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.686 -0.769 . . . . 5.36 112.72 -175.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.455 ' O ' ' HD3' ' A' ' 82' ' ' PRO . . . 63.57 -163.34 0.27 Allowed 'General case' 0 C--O 1.234 0.237 0 C-N-CA 123.096 0.558 . . . . 6.59 111.215 176.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -96.29 108.35 41.16 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.364 -0.38 . . . . 10.72 110.732 175.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.455 ' HD3' ' O ' ' A' ' 80' ' ' ALA . 27.6 Cg_exo . . . . . 0 C--O 1.248 1.009 0 C-N-CA 122.799 2.333 . . . . 11.77 111.385 174.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.65 0 N-CA-C 111.865 -0.494 . . . . 1.67 111.865 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -67.16 138.58 47.7 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.737 2.291 . . . . 0.95 112.646 -177.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.477 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 35.9 tt0 -91.8 132.33 36.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.812 -0.631 . . . . 1.13 110.324 -179.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.476 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 79.8 m-70 -128.33 163.37 24.95 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.687 -0.486 . . . . 0.55 109.687 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.61 ' HD2' ' HB3' ' A' ' 57' ' ' SER . 18.8 mmm180 -95.77 147.39 23.68 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.519 -0.178 . . . . 2.51 110.519 179.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.421 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . . . -154.72 147.12 23.97 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.328 0.585 . . . . 0.41 111.446 176.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.0 m -119.91 158.14 21.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.507 -0.769 . . . . 0.24 110.287 173.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.685 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 172.35 -168.36 41.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.409 -0.9 . . . . 0.28 112.712 178.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 53' ' ' ARG . 27.1 ttp180 -112.32 134.73 53.69 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.69 -0.485 . . . . 3.19 109.69 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.628 HD11 ' CG2' ' A' ' 54' ' ' VAL . 36.3 mm -66.88 132.41 32.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 N-CA-C 109.948 -0.39 . . . . 0.23 109.948 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -96.9 -48.69 5.33 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.289 -0.634 . . . . 1.13 109.289 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.0 m -159.98 146.49 15.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.759 -0.655 . . . . 0.75 109.984 174.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.732 HG23 HD22 ' A' ' 18' ' ' LEU . 22.9 mt -102.99 134.61 43.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.443 -0.344 . . . . 0.77 110.147 175.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -111.96 -175.16 19.81 Favored Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 111.535 -0.626 . . . . 1.06 111.535 175.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -83.93 -16.96 42.3 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.959 0.409 . . . . 2.51 110.705 -177.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -146.82 -6.73 0.5 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.95 -0.568 . . . . 3.93 111.938 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 p -155.33 140.05 17.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.809 0.338 . . . . 0.94 110.63 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.732 HD22 HG23 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -123.04 130.4 52.75 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.898 -0.592 . . . . 1.03 109.939 -177.677 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 58.1 mt -82.48 123.08 38.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 109.036 -0.727 . . . . 0.56 109.036 174.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.419 ' HB ' ' CE1' ' A' ' 37' ' ' PHE . 78.9 mt -128.35 132.46 68.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.944 0.402 . . . . 0.21 110.853 -177.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.01 89.52 7.62 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 109.311 -0.626 . . . . 0.22 109.311 172.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.685 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 26.4 p80 -85.68 156.01 20.84 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.424 -0.807 . . . . 0.27 109.848 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -70.99 -158.95 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.3 -0.259 . . . . 3.05 110.3 176.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.405 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -57.72 -47.29 82.83 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.555 0.576 . . . . 1.5 112.555 -172.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.487 HG22 ' H ' ' A' ' 28' ' ' ALA . 16.3 mt 68.72 92.61 0.06 OUTLIER Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 120.969 0.414 . . . . 0.63 110.981 -174.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -65.48 -35.35 39.34 Favored 'Trans proline' 0 CA--C 1.527 0.15 0 C-N-CA 122.614 2.209 . . . . 0.97 112.47 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.476 ' HB2' ' HB3' ' A' ' 4' ' ' HIS . 4.9 m -66.99 -25.45 66.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.478 -0.328 . . . . 1.1 111.663 -176.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.487 ' H ' HG22 ' A' ' 25' ' ' ILE . . . -107.34 -2.51 20.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.871 0.367 . . . . 0.89 110.707 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 55.16 39.87 31.59 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.517 -0.765 . . . . 2.21 111.387 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.404 ' CH2' HD21 ' A' ' 60' ' ' LEU . 39.7 m0 -94.97 173.8 7.41 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.873 -0.603 . . . . 1.02 110.202 177.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.08 39.31 2.04 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.799 -0.715 . . . . 1.67 112.156 -177.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.405 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 70.04 123.34 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.42 0.688 . . . . 0.57 111.634 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 21.9 ptt? -172.09 154.35 3.39 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.151 -0.477 . . . . 0.84 110.751 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.28 106.15 5.78 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 115.909 -0.587 . . . . 0.75 110.998 178.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.4 mmm -118.44 156.79 28.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.363 -0.38 . . . . 1.6 110.924 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -97.94 125.12 42.7 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.536 -0.757 . . . . 1.0 110.017 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.839 ' HB3' ' HG ' ' A' ' 68' ' ' LEU . 74.4 m-85 -104.84 130.02 53.05 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.721 -0.672 . . . . 0.37 110.531 -178.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.83 139.49 41.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.244 -0.435 . . . . 0.34 110.335 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.35 144.66 28.31 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.418 -0.356 . . . . 0.6 110.977 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -61.9 149.45 90.15 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.475 2.117 . . . . 1.1 110.981 172.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -57.27 -20.33 38.63 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.072 2.515 . . . . 2.05 113.175 -176.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.75 -22.93 61.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.482 -0.326 . . . . 1.33 111.344 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.41 171.48 32.05 Favored Glycine 0 N--CA 1.442 -0.963 0 C-N-CA 120.623 -0.798 . . . . 0.93 112.259 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.452 HD21 HD21 ' A' ' 18' ' ' LEU . 2.5 mm? -91.8 152.2 42.91 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-O 120.725 0.297 . . . . 0.97 110.779 -176.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 6.6 Cg_exo -74.5 -165.96 0.3 Allowed 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 123.04 2.493 . . . . 0.69 111.641 172.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.7 160.78 20.24 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.124 -0.489 . . . . 2.12 110.463 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.61 13.1 65.74 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.778 -0.725 . . . . 0.63 111.807 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.508 ' O ' HD11 ' A' ' 13' ' ' ILE . 0.9 OUTLIER -136.52 45.13 2.34 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.363 0.601 . . . . 1.06 110.55 -178.729 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.605 ' HG3' ' OD2' ' A' ' 52' ' ' ASP . 4.5 pttp -96.11 -178.32 4.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.392 -0.822 . . . . 3.0 110.741 -174.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.03 117.2 1.99 Allowed 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.302 -0.408 . . . . 0.37 111.86 -178.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.69 -20.63 29.26 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.883 -0.599 . . . . 0.38 112.712 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.605 ' OD2' ' HG3' ' A' ' 49' ' ' LYS . 8.8 m-20 -79.93 159.9 26.17 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.461 0.648 . . . . 0.53 111.437 -176.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.412 ' HD3' ' HA ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -110.05 121.25 44.83 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.093 -0.958 . . . . 3.26 109.198 177.499 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.628 ' CG2' HD11 ' A' ' 10' ' ' ILE . 12.5 m -130.26 150.44 34.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.281 0.563 . . . . 0.3 112.058 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.49 118.93 38.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.282 -0.872 . . . . 0.16 108.803 175.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.704 ' HB3' HG23 ' A' ' 71' ' ' VAL . 27.1 p90 -136.09 167.49 21.16 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.258 0.836 . . . . 0.36 113.258 -168.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.61 ' HB3' ' HD2' ' A' ' 5' ' ' ARG . 73.0 p -121.4 142.14 50.29 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 114.925 -1.034 . . . . 1.08 109.228 170.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -144.43 160.33 41.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.395 -0.366 . . . . 0.41 110.029 -177.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.477 ' HA ' ' HA ' ' A' ' 3' ' ' GLU . 7.6 mtm180 -104.48 162.16 13.48 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.468 -0.493 . . . . 3.07 109.84 176.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.438 ' HA ' ' O ' ' A' ' 65' ' ' MET . 13.3 mt -109.85 116.36 31.51 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.819 -0.628 . . . . 1.04 110.267 170.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.584 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 28.8 m-20 -82.86 168.01 25.85 Favored Pre-proline 0 C--N 1.318 -0.784 0 N-CA-C 108.493 -0.928 . . . . 1.87 108.493 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.49 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 52.9 Cg_exo -55.08 -23.39 35.48 Favored 'Trans proline' 0 CA--C 1.535 0.535 0 C-N-CA 122.737 2.291 . . . . 1.62 114.53 -168.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -88.59 -9.85 50.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.997 0.427 . . . . 2.43 111.168 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.28 28.49 9.12 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.482 -1.047 . . . . 1.08 110.482 -172.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.584 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 80.9 mtp -88.91 146.46 24.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.919 -0.64 . . . . 2.74 110.123 -177.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.448 ' O ' ' HA ' ' A' ' 37' ' ' PHE . . . -108.94 121.16 44.54 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.261 -0.427 . . . . 0.54 110.654 -176.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.8 t -120.21 126.05 49.67 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 110.005 -0.369 . . . . 0.71 110.005 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.839 ' HG ' ' HB3' ' A' ' 37' ' ' PHE . 61.6 mt -72.11 141.73 49.17 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.897 0.38 . . . . 1.18 110.523 -177.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.9 t -111.72 -54.75 4.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-N 115.889 -0.596 . . . . 1.01 109.708 177.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.0 p -146.29 143.38 29.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.593 -0.731 . . . . 0.42 109.819 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.704 HG23 ' HB3' ' A' ' 56' ' ' PHE . 10.4 p -142.04 132.95 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.338 0.589 . . . . 0.32 111.406 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.86 132.7 24.25 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.822 -0.627 . . . . 0.29 110.245 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.602 ' HA ' HG12 ' A' ' 54' ' ' VAL . 48.5 Cg_exo -58.72 127.67 25.33 Favored 'Trans proline' 0 CA--C 1.528 0.202 0 C-N-CA 122.954 2.436 . . . . 0.81 112.279 178.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.502 ' HG2' ' C ' ' A' ' 54' ' ' VAL . 1.1 pt20 -118.77 175.2 5.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.797 -0.638 . . . . 1.08 109.934 -178.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.435 ' O ' ' HB2' ' A' ' 76' ' ' GLN . 11.6 m -135.93 74.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-N 115.343 -0.844 . . . . 1.64 109.015 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.435 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 15.6 mm100 69.08 163.73 0.24 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 114.852 -1.067 . . . . 2.57 108.535 -166.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 32.9 m -61.05 99.18 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.667 0.746 . . . . 3.72 110.814 -178.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.56 10.01 34.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.796 -1.093 . . . . 3.65 110.58 -177.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 84.31 -74.23 2.54 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 115.726 -0.67 . . . . 5.36 111.642 -176.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 56.02 67.08 1.05 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.554 0.693 . . . . 6.59 110.802 -178.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.72 159.4 31.1 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.29 -0.868 . . . . 10.72 109.347 -179.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo . . . . . 0 C--O 1.251 1.161 0 C-N-CA 122.829 2.353 . . . . 11.77 112.254 176.134 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 60' ' ' LEU . . . . . . . . 0 N--CA 1.482 1.737 0 N-CA-C 111.538 -0.625 . . . . 1.67 111.538 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.28 139.83 92.03 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.982 2.454 . . . . 0.95 112.403 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -86.74 130.71 34.37 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.091 -0.504 . . . . 1.13 110.441 -177.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.437 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 49.1 m-70 -128.15 150.69 49.88 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.226 -1.028 . . . . 0.55 108.226 177.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.522 ' HG2' ' HB3' ' A' ' 57' ' ' SER . 39.9 mtp180 -97.25 155.45 16.86 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.344 -0.543 . . . . 2.51 111.688 178.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.444 ' HB3' ' CE1' ' A' ' 56' ' ' PHE . . . -159.75 159.49 32.84 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.323 -0.853 . . . . 0.41 110.662 176.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.559 ' HB ' HE22 ' A' ' 74' ' ' GLN . 29.9 m -123.42 146.86 28.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.626 -0.716 . . . . 0.24 109.375 172.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.687 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -169.22 178.22 42.51 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.045 -1.074 . . . . 0.28 112.868 -179.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -112.16 135.8 52.36 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.856 -0.424 . . . . 3.19 109.856 -178.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.463 HD11 HG21 ' A' ' 54' ' ' VAL . 29.0 mm -71.93 135.3 28.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 116.227 -0.442 . . . . 0.23 110.818 -177.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.609 HE21 ' HB2' ' A' ' 21' ' ' ALA . 83.0 mm-40 -95.71 -46.0 6.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.954 -0.567 . . . . 1.13 109.824 174.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.0 m -159.39 159.25 33.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.58 -0.736 . . . . 0.75 110.128 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.892 HD11 ' HA ' ' A' ' 49' ' ' LYS . 54.1 mt -115.05 143.8 24.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.14 0.495 . . . . 0.77 111.374 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.445 ' H ' ' HB3' ' A' ' 18' ' ' LEU . . . -133.34 176.99 19.32 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 110.498 -1.041 . . . . 1.06 110.498 173.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -65.89 -49.74 66.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.192 0.496 . . . . 2.51 111.341 -178.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.46 4.05 5.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.333 -0.394 . . . . 3.93 111.841 -174.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.3 p -155.6 143.48 19.81 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.075 0.464 . . . . 0.94 110.51 172.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.674 HD21 ' HG ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -150.05 155.04 39.18 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.778 -0.647 . . . . 1.03 110.472 -178.156 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.3 mt -97.15 128.52 48.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.304 -0.407 . . . . 0.56 110.702 -173.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.401 ' HB ' ' CE1' ' A' ' 37' ' ' PHE . 73.9 mt -129.55 127.97 65.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.143 -0.48 . . . . 0.21 110.853 -178.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.609 ' HB2' HE21 ' A' ' 11' ' ' GLN . . . -86.7 91.07 8.49 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.806 -0.813 . . . . 0.22 108.806 173.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.687 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 24.9 p80 -84.83 154.02 22.58 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.519 -0.764 . . . . 0.27 110.875 -176.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -66.15 -166.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.56 -0.745 . . . . 3.05 110.985 175.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.483 ' O ' ' HB2' ' A' ' 30' ' ' TRP . . . -56.33 -46.73 79.77 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.883 -0.598 . . . . 1.5 112.174 -176.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.467 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 27.6 mt 75.18 92.44 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.176 -0.465 . . . . 0.63 110.866 -177.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.77 -9.18 22.28 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.499 2.133 . . . . 0.97 112.19 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.437 ' HB3' ' HB3' ' A' ' 4' ' ' HIS . 49.9 m -80.08 -19.37 47.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.967 -0.56 . . . . 1.1 110.865 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.97 -9.53 7.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.89 111.44 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 64.76 34.09 9.79 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.231 -0.44 . . . . 2.21 111.15 -178.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.483 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 53.2 m0 -84.48 173.92 10.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.069 -0.514 . . . . 1.02 110.202 177.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.81 36.93 3.07 Favored Glycine 0 C--N 1.323 -0.193 0 C-N-CA 120.622 -0.799 . . . . 1.67 112.99 -176.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.472 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 69.02 128.8 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.263 0.625 . . . . 0.57 111.794 178.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 19.2 ptt? -171.73 146.47 2.12 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.915 -0.584 . . . . 0.84 111.045 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.585 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 21.0 m -75.05 108.66 7.93 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.388 -0.824 . . . . 0.75 110.277 178.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.2 mmm -127.03 158.23 37.49 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.157 -0.474 . . . . 1.6 111.56 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -90.71 136.82 32.82 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.345 -0.843 . . . . 1.0 109.872 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.401 ' CE1' ' HB ' ' A' ' 20' ' ' ILE . 62.6 m-85 -115.32 138.83 50.55 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.195 -0.457 . . . . 0.37 109.84 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.82 132.23 42.75 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.82 -0.627 . . . . 0.34 110.219 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.06 155.86 37.74 Favored Pre-proline 0 C--N 1.316 -0.864 0 CA-C-N 116.2 -0.454 . . . . 0.6 110.35 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.55 159.53 53.14 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.539 2.16 . . . . 1.1 111.047 173.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -57.66 -15.51 20.98 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.034 2.489 . . . . 2.05 112.939 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.72 -36.35 78.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.474 . . . . 1.33 110.852 177.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.38 166.87 33.91 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.949 -0.644 . . . . 0.93 112.852 177.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.674 ' HG ' HD21 ' A' ' 18' ' ' LEU . 2.5 mm? -95.71 149.98 36.79 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-O 120.642 0.258 . . . . 0.97 111.029 -177.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -78.52 -164.14 0.26 Allowed 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.427 2.085 . . . . 0.69 111.741 172.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.451 HE21 ' HB2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -103.64 177.51 4.82 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.577 -0.527 . . . . 2.12 109.577 173.084 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.11 10.34 62.62 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.546 -0.835 . . . . 0.63 111.511 -177.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.508 ' HB3' HG11 ' A' ' 54' ' ' VAL . 1.7 pp -143.7 47.84 1.44 Allowed 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 122.665 0.386 . . . . 1.06 111.417 -176.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.892 ' HA ' HD11 ' A' ' 13' ' ' ILE . 9.3 ptpp? -94.21 167.02 11.82 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.541 -0.464 . . . . 3.0 110.237 -172.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.93 106.54 0.1 Allowed 'General case' 0 C--O 1.234 0.252 0 O-C-N 123.447 0.467 . . . . 0.37 111.221 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.84 -21.93 7.37 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.964 -0.636 . . . . 0.38 112.494 -177.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.505 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 7.0 m-20 -79.86 153.78 28.83 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 120.936 0.398 . . . . 0.53 110.577 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.454 HH11 ' HD2' ' A' ' 53' ' ' ARG . 6.2 ttt180 -111.84 119.37 38.35 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.243 -1.021 . . . . 3.26 108.243 172.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.508 HG11 ' HB3' ' A' ' 48' ' ' LEU . 5.0 m -120.59 155.02 23.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 121.097 0.475 . . . . 0.3 111.679 -172.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.16 130.14 55.49 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.63 -0.878 . . . . 0.16 108.63 175.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.664 ' HB3' HG23 ' A' ' 71' ' ' VAL . 49.6 p90 -148.6 170.23 18.56 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.018 -0.673 . . . . 0.36 112.758 -168.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.522 ' HB3' ' HG2' ' A' ' 5' ' ' ARG . 80.5 p -128.78 137.39 51.51 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 114.834 -1.075 . . . . 1.08 109.045 171.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -134.89 154.21 51.76 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.14 -0.482 . . . . 0.41 110.228 -176.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.507 ' HG3' HG21 ' A' ' 69' ' ' VAL . 47.3 mtm-85 -103.89 124.64 49.33 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 120.734 0.302 . . . . 3.07 110.197 178.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.417 HD23 ' O ' ' A' ' 65' ' ' MET . 13.9 mt -89.46 110.88 21.66 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-N 115.907 -0.588 . . . . 1.04 109.968 176.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.402 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 52.8 m-20 -79.07 161.4 68.4 Favored Pre-proline 0 C--N 1.315 -0.924 0 N-CA-C 108.939 -0.763 . . . . 1.87 108.939 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -67.02 1.3 2.94 Favored 'Trans proline' 0 CA--C 1.528 0.192 0 C-N-CA 123.223 2.616 . . . . 1.62 114.317 -166.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -104.41 -8.25 19.3 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.042 0.449 . . . . 2.43 110.656 178.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.66 33.81 6.27 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.593 -0.813 . . . . 1.08 111.209 -176.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.417 ' O ' HD23 ' A' ' 60' ' ' LEU . 26.1 mmt -97.48 145.78 25.87 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.23 -0.656 . . . . 2.74 109.23 178.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.18 97.4 6.04 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.197 -0.668 . . . . 0.54 109.197 -174.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.7 m -101.45 115.66 31.01 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.519 -0.764 . . . . 0.71 110.699 -175.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.7 tp -72.03 122.07 20.27 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.199 -0.909 . . . . 1.18 110.862 -174.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.507 HG21 ' HG3' ' A' ' 59' ' ' ARG . 25.0 t -94.94 -56.65 5.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.849 -0.614 . . . . 1.01 110.226 -178.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.85 135.64 22.23 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.635 -0.711 . . . . 0.42 110.8 -176.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.664 HG23 ' HB3' ' A' ' 56' ' ' PHE . 7.5 p -138.1 135.77 44.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.018 0.437 . . . . 0.32 110.808 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -124.26 146.19 50.93 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.96 -0.564 . . . . 0.29 110.374 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.412 ' HA ' HG12 ' A' ' 54' ' ' VAL . 31.8 Cg_endo -66.99 114.73 3.28 Favored 'Trans proline' 0 N--CA 1.46 -0.441 0 C-N-CA 122.212 1.941 . . . . 0.81 112.62 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.559 HE22 ' HB ' ' A' ' 7' ' ' VAL . 10.5 pt20 -109.44 179.05 4.25 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.884 -0.784 . . . . 1.08 108.884 174.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 p -137.49 96.09 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 N-CA-C 108.801 -0.815 . . . . 1.64 108.801 -176.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 67.75 -90.2 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 114.024 -1.443 . . . . 2.57 111.643 -173.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.3 m -134.39 93.8 3.12 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 115.822 -0.626 . . . . 3.72 110.401 -178.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.83 86.37 2.81 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.466 -0.788 . . . . 3.65 110.32 175.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -83.97 74.15 2.55 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.843 -0.694 . . . . 5.36 112.159 -178.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -146.41 146.42 30.61 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.169 -0.308 . . . . 6.59 110.169 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.474 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 13.6 mmmm -109.0 137.89 20.23 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.492 -0.322 . . . . 10.72 110.461 177.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 81' ' ' LYS . 3.8 Cg_endo . . . . . 0 C--O 1.25 1.107 0 C-N-CA 123.043 2.495 . . . . 11.77 111.305 175.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.454 ' HA3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.623 0 CA-C-O 120.169 -0.24 . . . . 1.67 112.609 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.454 ' HD3' ' HA3' ' A' ' 1' ' ' GLY . 52.3 Cg_exo -56.68 137.7 82.1 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 123.511 2.807 . . . . 0.95 113.38 -175.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.418 ' CB ' ' HG2' ' A' ' 59' ' ' ARG . 34.6 tt0 -100.96 122.1 42.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.296 -0.866 . . . . 1.13 110.04 -179.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -118.3 143.44 46.6 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.249 -0.648 . . . . 0.55 109.249 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.717 ' HG2' ' HB3' ' A' ' 57' ' ' SER . 95.9 mtt180 -95.31 157.2 16.0 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.776 0.322 . . . . 2.51 110.714 177.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -159.71 152.63 21.71 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.842 -0.617 . . . . 0.41 110.89 176.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.465 HG12 ' HA ' ' A' ' 55' ' ' ALA . 27.6 m -121.97 146.02 27.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 116.036 -0.529 . . . . 0.24 109.962 173.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.503 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -177.39 -178.15 46.81 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.474 -0.869 . . . . 0.28 112.226 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.507 ' HA ' ' HA ' ' A' ' 53' ' ' ARG . 45.0 ttp180 -106.99 139.51 41.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.039 0.447 . . . . 3.19 110.211 -177.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.547 HD11 ' CG2' ' A' ' 54' ' ' VAL . 29.3 mm -71.87 133.32 32.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.559 -0.746 . . . . 0.23 110.867 -178.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.759 HE21 ' HB2' ' A' ' 21' ' ' ALA . 83.6 mm-40 -89.93 -42.68 11.05 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.798 -0.637 . . . . 1.13 109.859 176.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.0 t -173.07 160.06 4.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.689 -0.687 . . . . 0.75 109.786 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.632 HD11 ' HA ' ' A' ' 49' ' ' LYS . 87.8 mt -109.11 133.38 54.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.168 -0.469 . . . . 0.77 110.314 178.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.98 -142.2 12.8 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.624 -0.716 . . . . 1.06 111.872 176.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -113.87 -32.79 5.98 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.309 -0.626 . . . . 2.51 109.309 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -137.53 3.31 2.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.526 -0.761 . . . . 3.93 111.199 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.8 p -157.2 160.93 39.2 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.317 -0.623 . . . . 0.94 109.317 172.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.479 ' HB3' ' HA ' ' A' ' 13' ' ' ILE . 0.7 OUTLIER -149.84 151.37 33.41 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.019 0.437 . . . . 1.03 111.522 179.683 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.571 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 18.6 mt -92.8 129.83 42.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.54 -0.755 . . . . 0.56 110.802 -172.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.9 mt -130.19 129.78 65.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.085 0.469 . . . . 0.21 111.346 -178.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.759 ' HB2' HE21 ' A' ' 11' ' ' GLN . . . -86.27 93.74 9.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.901 -0.59 . . . . 0.22 109.884 173.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.503 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 24.3 p80 -91.81 155.38 18.27 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.79 -0.641 . . . . 0.27 110.692 -175.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -69.74 -168.95 0.21 Allowed 'General case' 0 C--O 1.241 0.641 0 CA-C-N 116.022 -0.536 . . . . 3.05 111.356 177.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.446 ' HA ' ' H ' ' A' ' 32' ' ' ALA . . . -76.05 73.0 2.92 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.968 -0.56 . . . . 1.5 111.58 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.618 HG22 ' H ' ' A' ' 28' ' ' ALA . 42.5 mt -47.95 102.87 0.33 Allowed Pre-proline 0 C--N 1.32 -0.712 0 O-C-N 124.234 0.959 . . . . 0.63 112.287 176.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -73.22 -18.2 23.74 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.816 2.344 . . . . 0.97 111.374 176.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.3 m -69.91 -41.47 74.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.296 -0.866 . . . . 1.1 111.364 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.618 ' H ' HG22 ' A' ' 25' ' ' ILE . . . -110.95 2.31 18.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.492 -0.322 . . . . 0.89 111.265 -177.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 66.31 30.03 9.2 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.809 -0.632 . . . . 2.21 110.657 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.479 ' HB2' ' HB ' ' A' ' 25' ' ' ILE . 44.6 m0 -93.08 110.06 21.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.342 -0.39 . . . . 1.02 110.258 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.66 65.67 4.03 Favored Glycine 0 C--N 1.32 -0.316 0 CA-C-N 115.937 -0.574 . . . . 1.67 113.221 -172.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.446 ' H ' ' HA ' ' A' ' 24' ' ' ALA . . . 55.98 93.2 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.316 0.646 . . . . 0.57 112.502 175.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 22.6 ptt? -153.0 149.61 28.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.061 0.458 . . . . 0.84 111.059 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.456 HG23 ' HG3' ' A' ' 11' ' ' GLN . 23.4 m -74.66 110.33 8.86 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.019 -0.991 . . . . 0.75 110.032 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 44.0 tpp -128.6 148.2 50.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.08 -0.509 . . . . 1.6 110.706 -178.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.571 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 35.0 tt0 -94.85 133.37 38.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.799 0.333 . . . . 1.0 110.16 178.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -112.5 142.32 45.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.236 -0.438 . . . . 0.37 110.56 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.439 ' HB3' HG23 ' A' ' 67' ' ' THR . . . -80.85 141.96 34.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.427 -0.351 . . . . 0.34 110.761 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.83 141.14 67.91 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.276 -0.42 . . . . 0.6 111.503 -178.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.31 158.88 52.79 Favored 'Trans proline' 0 C--O 1.236 0.4 0 C-N-CA 122.707 2.271 . . . . 1.1 111.533 175.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -63.14 -13.83 37.93 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.778 2.319 . . . . 2.05 112.984 -177.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.58 -14.13 52.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.356 -0.383 . . . . 1.33 111.584 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.44 174.52 35.61 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.913 -0.66 . . . . 0.93 112.186 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -93.9 139.33 22.63 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.905 0.383 . . . . 0.97 111.268 -178.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.637 ' HD2' HD21 ' A' ' 48' ' ' LEU . 57.0 Cg_endo -81.94 -167.18 0.46 Allowed 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 123.106 2.537 . . . . 0.69 111.878 171.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.693 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 0.9 OUTLIER -110.31 158.88 17.94 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.692 -0.686 . . . . 2.12 110.156 176.827 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.83 11.72 45.83 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.264 -0.493 . . . . 0.63 112.557 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.647 HD23 HG11 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -129.3 46.66 2.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.84 0.352 . . . . 1.06 111.542 -177.879 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.632 ' HA ' HD11 ' A' ' 13' ' ' ILE . 88.0 mttt -95.19 171.24 8.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.104 0.478 . . . . 3.0 111.984 -174.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.02 107.66 0.15 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.994 -1.003 . . . . 0.37 111.177 177.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.68 -17.06 18.52 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.76 -0.733 . . . . 0.38 112.537 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.485 ' O ' HG12 ' A' ' 10' ' ' ILE . 11.6 m-20 -85.65 145.36 27.35 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.058 -0.349 . . . . 0.53 110.058 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.647 ' HD3' ' HA ' ' A' ' 76' ' ' GLN . 13.8 ttt180 -108.67 117.69 34.84 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 109.532 -0.544 . . . . 3.26 109.532 175.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.792 HG12 ' HA ' ' A' ' 73' ' ' PRO . 3.6 m -116.25 160.68 15.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.839 -0.618 . . . . 0.3 111.327 -174.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.465 ' HA ' HG12 ' A' ' 7' ' ' VAL . . . -110.24 118.36 36.14 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.853 -0.795 . . . . 0.16 108.853 175.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.753 ' HB3' HG23 ' A' ' 71' ' ' VAL . 38.2 p90 -136.52 167.23 21.75 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.731 0.641 . . . . 0.36 112.731 -169.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.717 ' HB3' ' HG2' ' A' ' 5' ' ' ARG . 28.0 p -130.11 139.25 50.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.197 -0.91 . . . . 1.08 109.635 173.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -138.49 151.74 47.65 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.262 -0.426 . . . . 0.41 110.624 -176.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.617 ' HG3' HG21 ' A' ' 69' ' ' VAL . 56.1 mtt180 -109.32 137.8 46.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.996 0.427 . . . . 3.07 110.895 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.566 HD22 ' HA ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -102.53 145.26 29.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.446 -0.797 . . . . 1.04 110.327 -179.71 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -97.99 169.13 8.88 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 108.806 -0.812 . . . . 1.87 108.806 173.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.7 -12.94 33.87 Favored 'Trans proline' 0 C--N 1.334 -0.208 0 C-N-CA 123.069 2.513 . . . . 1.62 112.993 -178.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -85.55 -26.82 25.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.82 0.343 . . . . 2.43 110.362 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.34 26.48 5.94 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 1.08 112.106 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.8 mmt -95.89 153.18 17.89 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.702 -0.481 . . . . 2.74 109.702 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.566 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -120.77 119.73 33.58 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.943 0.401 . . . . 0.54 110.738 -171.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.439 HG23 ' HB3' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -121.01 125.37 47.17 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.997 -0.547 . . . . 0.71 110.903 -178.454 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.419 HD11 ' HB2' ' A' ' 56' ' ' PHE . 58.9 tp -75.47 134.39 40.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.221 -0.445 . . . . 1.18 110.648 -176.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.617 HG21 ' HG3' ' A' ' 59' ' ' ARG . 25.0 t -105.01 -54.78 6.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.992 -0.549 . . . . 1.01 110.478 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -147.12 142.17 27.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.703 -0.68 . . . . 0.42 110.844 -177.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.753 HG23 ' HB3' ' A' ' 56' ' ' PHE . 14.8 p -138.32 136.86 44.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.126 0.489 . . . . 0.32 110.201 178.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -120.01 124.77 27.67 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 116.123 -0.49 . . . . 0.29 110.342 177.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.792 ' HA ' HG12 ' A' ' 54' ' ' VAL . 33.5 Cg_exo -59.37 103.2 0.17 Allowed 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.779 2.319 . . . . 0.81 111.781 176.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.419 HE22 ' HB ' ' A' ' 7' ' ' VAL . 15.5 pt20 -103.91 178.75 4.47 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.353 -0.84 . . . . 1.08 109.742 -178.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.6 m -124.1 85.97 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-O 121.482 0.658 . . . . 1.64 110.519 -171.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.647 ' HA ' ' HD3' ' A' ' 53' ' ' ARG . 21.8 mt-30 50.0 -108.89 0.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.462 -1.244 . . . . 2.57 111.967 -178.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -66.7 -46.61 74.99 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.764 -0.653 . . . . 3.72 110.964 -179.61 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 62.4 6.68 2.02 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.973 -1.012 . . . . 3.65 112.802 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -76.73 -69.31 1.41 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.648 -0.786 . . . . 5.36 111.5 177.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -114.72 -47.18 2.9 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.315 0.578 . . . . 6.59 109.625 174.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.532 ' O ' HG23 ' A' ' 77' ' ' THR . 37.1 tttm -95.05 146.38 31.22 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.263 -0.88 . . . . 10.72 110.331 178.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo . . . . . 0 C--O 1.247 0.947 0 C-N-CA 122.515 2.143 . . . . 11.77 109.944 164.722 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.402 ' HA2' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.479 1.552 0 N-CA-C 111.954 -0.458 . . . . 1.67 111.954 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.448 ' O ' ' HA ' ' A' ' 59' ' ' ARG . 28.1 Cg_exo -64.9 143.12 78.43 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.901 2.401 . . . . 0.95 112.463 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.469 ' HA ' ' O ' ' A' ' 58' ' ' PHE . 22.9 tt0 -90.13 130.42 36.29 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.671 -0.695 . . . . 1.13 110.417 179.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.454 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 79.9 m-70 -119.72 142.62 48.35 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.471 -0.566 . . . . 0.55 109.471 177.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.532 ' HD3' ' HB3' ' A' ' 57' ' ' SER . 13.8 mmt180 -78.68 138.89 38.5 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.292 -0.262 . . . . 2.51 110.292 176.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.65 133.9 17.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.203 0.525 . . . . 0.41 111.408 -178.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.493 ' HB ' HE22 ' A' ' 74' ' ' GLN . 31.2 m -122.41 152.46 26.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 109.599 -0.519 . . . . 0.24 109.599 175.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.633 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -178.29 -166.25 34.31 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 119.821 -1.18 . . . . 0.28 113.498 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -118.26 128.89 55.11 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.173 -0.677 . . . . 3.19 109.173 -176.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.631 HD11 HG21 ' A' ' 54' ' ' VAL . 41.7 mm -66.09 130.63 31.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.813 0.34 . . . . 0.23 110.53 -176.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.5 ' HG2' HG21 ' A' ' 34' ' ' THR . 3.5 tp-100 -92.34 -52.14 4.81 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.771 -0.65 . . . . 1.13 109.527 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.4 m -160.77 150.19 17.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.858 -0.61 . . . . 0.75 109.828 176.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.704 HD11 ' HA ' ' A' ' 49' ' ' LYS . 72.4 mt -98.51 142.39 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 0.77 110.879 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' A' ' 17' ' ' SER . . . -105.82 -139.07 9.49 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.844 -0.616 . . . . 1.06 112.365 178.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -104.08 -44.43 5.0 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.888 0.851 . . . . 2.51 108.956 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.42 12.68 1.19 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.293 -1.322 . . . . 3.93 109.527 -178.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.419 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 35.8 p -154.85 154.23 32.4 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.075 -1.084 . . . . 0.94 108.075 173.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.841 HD21 ' HG ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -151.86 152.86 33.15 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 120.98 0.419 . . . . 1.03 111.327 -177.59 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.633 HG22 HG22 ' A' ' 34' ' ' THR . 14.0 mt -93.59 131.27 41.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.356 -0.838 . . . . 0.56 110.077 -174.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 68.3 mt -131.42 128.97 61.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.011 0.434 . . . . 0.21 111.29 -177.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.625 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -77.69 90.67 4.0 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.969 -0.752 . . . . 0.22 108.969 169.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.633 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 24.4 p80 -87.67 157.59 19.05 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.02 -0.536 . . . . 0.27 110.863 -178.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -63.71 -169.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.473 -0.785 . . . . 3.05 111.433 175.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.608 ' HA ' ' H ' ' A' ' 32' ' ' ALA . . . -58.24 -49.74 76.04 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.882 -0.599 . . . . 1.5 111.815 -176.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.415 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 31.0 mt 73.67 87.27 0.09 OUTLIER Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.858 -0.61 . . . . 0.63 110.581 -177.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.7 -23.06 63.63 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.929 2.419 . . . . 0.97 112.502 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.454 ' HB3' ' HB3' ' A' ' 4' ' ' HIS . 8.0 t -76.85 -12.73 60.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.831 0.348 . . . . 1.1 110.885 -178.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.54 -9.2 8.49 Favored 'General case' 0 C--N 1.33 -0.283 0 C-N-CA 121.103 -0.239 . . . . 0.89 111.236 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 66.72 30.96 7.85 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.941 -0.572 . . . . 2.21 111.176 178.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.413 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 46.4 m0 -88.6 174.07 8.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.979 -0.555 . . . . 1.02 110.094 178.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.64 48.5 0.97 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.549 -0.834 . . . . 1.67 113.199 -174.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.608 ' H ' ' HA ' ' A' ' 24' ' ' ALA . . . 59.39 92.43 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.458 0.54 . . . . 0.57 112.458 174.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 20.9 ptt? -146.79 152.94 39.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.278 -0.419 . . . . 0.84 110.908 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.633 HG22 HG22 ' A' ' 19' ' ' ILE . 13.9 m -75.17 108.78 8.15 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.615 -0.72 . . . . 0.75 110.823 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.7 mmm -126.48 156.31 40.9 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.095 -0.502 . . . . 1.6 111.155 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.576 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 72.4 tt0 -97.41 141.54 30.36 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.41 -178.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -120.63 131.87 54.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.306 -0.406 . . . . 0.37 109.991 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.54 128.72 37.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.317 -0.401 . . . . 0.34 110.768 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.67 165.81 13.99 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.346 -0.388 . . . . 0.6 110.537 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 31.6 Cg_exo -60.17 152.46 65.8 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.195 1.93 . . . . 1.1 111.178 171.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 40' ' ' PRO . 51.5 Cg_exo -55.42 -15.57 11.94 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 123.131 2.554 . . . . 2.05 113.299 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.93 -39.15 73.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 1.33 111.262 174.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.31 174.23 20.49 Favored Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.785 -0.722 . . . . 0.93 112.059 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.841 ' HG ' HD21 ' A' ' 18' ' ' LEU . 3.7 mm? -92.0 156.38 42.35 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-O 120.765 0.317 . . . . 0.97 111.047 -178.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -74.69 -163.57 0.19 Allowed 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.794 2.329 . . . . 0.69 112.033 172.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.668 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -117.88 148.3 42.27 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.257 -0.883 . . . . 2.12 110.494 -178.487 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.76 18.04 12.28 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 111.579 -0.608 . . . . 0.63 111.579 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.682 ' HB3' HG11 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -134.31 55.52 1.89 Allowed 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.053 0.454 . . . . 1.06 111.208 -177.156 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.704 ' HA ' HD11 ' A' ' 13' ' ' ILE . 7.1 ptpp? -94.27 168.7 10.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.302 -0.408 . . . . 3.0 110.099 -174.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.4 106.8 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.414 0.446 . . . . 0.37 110.69 176.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.61 -16.0 12.63 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.928 -0.654 . . . . 0.38 112.877 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.582 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 17.4 m-20 -80.34 156.2 26.85 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 117.313 0.556 . . . . 0.53 111.026 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.933 ' HD3' ' HA ' ' A' ' 76' ' ' GLN . 31.3 ttt85 -110.17 120.43 42.43 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.75 -0.659 . . . . 3.26 109.414 174.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.682 HG11 ' HB3' ' A' ' 48' ' ' LEU . 13.2 m -125.63 156.82 35.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.823 -0.626 . . . . 0.3 111.073 -176.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.413 ' HA ' HG12 ' A' ' 7' ' ' VAL . . . -114.46 124.8 52.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.671 -0.695 . . . . 0.16 109.189 175.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.445 ' HA ' ' O ' ' A' ' 70' ' ' THR . 11.0 p90 -140.66 178.44 7.33 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.217 0.532 . . . . 0.36 111.759 -174.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.602 ' C ' HG22 ' A' ' 69' ' ' VAL . 1.3 p -134.67 -178.78 5.23 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 108.621 -0.881 . . . . 1.08 108.621 166.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.469 ' O ' ' HA ' ' A' ' 3' ' ' GLU . 33.4 p90 -170.46 158.56 6.51 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.957 -0.386 . . . . 0.41 109.957 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.448 ' HA ' ' O ' ' A' ' 2' ' ' PRO . 28.6 mtm-85 -110.87 134.15 52.78 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.889 -0.411 . . . . 3.07 109.889 178.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 60' ' ' LEU . 10.1 mt -93.03 113.07 25.23 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.959 -0.386 . . . . 1.04 109.959 174.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -83.01 164.24 47.26 Favored Pre-proline 0 C--N 1.315 -0.907 0 CA-C-N 115.919 -0.582 . . . . 1.87 109.496 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -71.07 0.93 5.86 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.899 2.399 . . . . 1.62 112.527 -172.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -101.12 -4.55 27.1 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.049 -0.523 . . . . 2.43 110.499 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.29 32.81 15.69 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 110.922 -0.871 . . . . 1.08 110.922 -177.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 24.6 mmt -95.6 141.89 28.56 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.788 -0.449 . . . . 2.74 109.788 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -110.94 97.01 6.5 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.49 -0.929 . . . . 0.54 108.49 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.8 m -105.86 112.53 25.63 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.514 -0.766 . . . . 0.71 110.806 -171.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.401 HD12 ' O ' ' A' ' 57' ' ' SER . 25.7 tp -65.71 139.94 58.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.391 -0.822 . . . . 1.18 110.109 -176.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.602 HG22 ' C ' ' A' ' 57' ' ' SER . 13.6 m -109.43 -59.07 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 CA-C-N 116.473 -0.331 . . . . 1.01 111.217 -178.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.598 ' H ' HG23 ' A' ' 69' ' ' VAL . 1.7 p -146.63 131.55 18.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.668 -0.242 . . . . 0.42 110.471 177.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.3 p -128.27 133.22 67.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 O-C-N 123.522 0.513 . . . . 0.32 109.748 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -131.48 134.21 25.32 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 116.405 -0.362 . . . . 0.29 110.598 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.574 ' HA ' HG12 ' A' ' 54' ' ' VAL . 54.1 Cg_exo -53.73 123.43 13.38 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.928 2.418 . . . . 0.81 111.816 176.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.64 ' HB2' ' HB3' ' A' ' 78' ' ' ALA . 10.7 pt20 -123.24 177.56 5.52 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.232 -0.44 . . . . 1.08 110.244 -177.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.0 t -127.24 87.24 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 108.851 -0.796 . . . . 1.64 108.851 -174.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.933 ' HA ' ' HD3' ' A' ' 53' ' ' ARG . 15.8 mm100 60.7 -98.93 0.09 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.223 -0.898 . . . . 2.57 111.582 -176.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 10.9 m -104.28 87.31 2.71 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-O 121.466 0.65 . . . . 3.72 110.198 177.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.64 ' HB3' ' HB2' ' A' ' 74' ' ' GLN . . . -105.95 1.85 26.97 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.579 -0.737 . . . . 3.65 110.915 177.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.07 138.34 34.62 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.851 -0.69 . . . . 5.36 112.054 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -108.99 134.94 50.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.028 0.442 . . . . 6.59 111.249 -178.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -88.9 157.23 49.0 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.754 -0.657 . . . . 10.72 109.747 177.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo . . . . . 0 C--O 1.25 1.111 0 C-N-CA 122.63 2.22 . . . . 11.77 111.829 176.434 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 N-CA-C 112.095 -0.402 . . . . 1.67 112.095 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.65 145.96 71.63 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.727 2.285 . . . . 0.95 112.583 -177.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -90.89 131.75 36.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.678 -0.692 . . . . 1.13 109.969 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.411 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 80.0 m-70 -127.91 150.73 49.75 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.326 -0.62 . . . . 0.55 109.326 -179.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.568 ' HG2' ' HB3' ' A' ' 57' ' ' SER . 78.2 mtt180 -104.99 151.72 23.59 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.958 -0.297 . . . . 2.51 110.736 176.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.482 ' CB ' HG12 ' A' ' 25' ' ' ILE . . . -156.56 152.23 27.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.713 -0.676 . . . . 0.41 110.007 177.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.765 ' HB ' HE22 ' A' ' 74' ' ' GLN . 30.1 m -122.12 158.58 25.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 120.97 0.414 . . . . 0.24 110.355 174.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 172.78 -146.38 9.06 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.116 -1.04 . . . . 0.28 112.53 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.445 ' HA ' ' HA ' ' A' ' 53' ' ' ARG . 11.4 ttm180 -129.6 137.85 50.93 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.695 -0.483 . . . . 3.19 109.695 -175.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.698 HD11 HG21 ' A' ' 54' ' ' VAL . 50.7 mm -69.01 117.72 12.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 109.744 -0.465 . . . . 0.23 109.744 177.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.502 ' HG2' HG21 ' A' ' 34' ' ' THR . 8.3 tp-100 -83.75 -50.05 8.51 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.98 -0.554 . . . . 1.13 109.542 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.1 m -161.02 141.8 11.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.908 -0.587 . . . . 0.75 110.667 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.505 HG23 HD22 ' A' ' 18' ' ' LEU . 57.8 mt -90.77 131.39 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.334 -0.617 . . . . 0.77 109.334 171.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.91 -161.68 17.64 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.278 -0.487 . . . . 1.06 113.005 -176.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.815 ' HG3' ' HG3' ' A' ' 16' ' ' ARG . 9.3 pt-20 -69.09 -43.62 74.15 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 122.761 0.424 . . . . 2.51 112.05 -176.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.815 ' HG3' ' HG3' ' A' ' 15' ' ' GLU . 3.0 ppt_? -143.46 17.42 1.86 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.331 0.586 . . . . 3.93 110.269 -177.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.635 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 3.0 p -158.36 166.41 32.35 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 115.156 -0.929 . . . . 0.94 109.039 -175.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.556 HD21 ' HG ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -133.61 131.43 39.62 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 109.111 -0.7 . . . . 1.03 109.111 171.714 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.839 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 4.3 mp -78.27 124.56 36.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 108.526 -0.916 . . . . 0.56 108.526 177.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 69.2 mt -126.41 123.64 63.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.826 0.346 . . . . 0.21 111.276 -174.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.747 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -71.37 95.42 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.442 -0.577 . . . . 0.22 109.442 170.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.0 p80 -101.67 155.31 18.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.272 -0.422 . . . . 0.27 110.826 -176.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.613 ' HG3' ' O ' ' A' ' 7' ' ' VAL . 1.8 pp20? -70.08 -165.15 0.09 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.41 -0.814 . . . . 3.05 111.194 174.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.58 -15.58 62.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.915 0.709 . . . . 1.5 112.915 -171.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.482 HG12 ' CB ' ' A' ' 6' ' ' ALA . 42.5 mt 63.26 85.61 0.16 Allowed Pre-proline 0 C--N 1.322 -0.598 0 CA-C-O 121.074 0.464 . . . . 0.63 110.668 178.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -68.19 -9.07 24.67 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.433 2.089 . . . . 0.97 112.247 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.411 ' HB2' ' HB3' ' A' ' 4' ' ' HIS . 15.0 m -87.79 -20.21 26.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.132 -0.486 . . . . 1.1 111.331 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.92 -4.81 8.02 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.234 0.457 . . . . 0.89 112.234 -176.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 58.02 63.57 1.74 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.483 0.658 . . . . 2.21 110.475 -178.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.467 ' CZ2' HD11 ' A' ' 60' ' ' LEU . 18.7 m0 -116.08 176.41 5.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.094 -0.957 . . . . 1.02 110.416 -177.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.447 ' O ' ' HG2' ' A' ' 33' ' ' MET . . . -101.25 159.16 18.77 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.345 -0.931 . . . . 1.67 111.336 170.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.66 126.62 30.16 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.985 -0.376 . . . . 0.57 109.985 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.447 ' HG2' ' O ' ' A' ' 31' ' ' GLY . 4.5 ptt? -171.64 152.3 3.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.081 -0.509 . . . . 0.84 111.256 -174.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.747 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 22.6 m -82.02 107.79 15.0 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.307 -0.86 . . . . 0.75 109.915 177.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 41.6 ttm -131.54 147.5 52.54 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.211 -0.449 . . . . 1.6 111.126 -178.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.839 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 40.5 tt0 -76.75 138.73 40.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.33 -0.85 . . . . 1.0 111.564 -179.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -119.57 128.23 53.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.881 -0.6 . . . . 0.37 109.695 173.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.635 ' HA ' ' HB3' ' A' ' 17' ' ' SER . . . -76.75 144.96 38.9 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.904 -0.589 . . . . 0.34 110.596 -175.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.63 147.17 34.61 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-O 120.525 0.202 . . . . 0.6 110.956 -177.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 68' ' ' LEU . 50.0 Cg_endo -69.81 159.09 54.66 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.456 2.104 . . . . 1.1 111.006 173.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -57.19 -21.83 45.21 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.801 2.334 . . . . 2.05 112.502 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.91 -41.08 91.88 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.98 -0.554 . . . . 1.33 111.531 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.95 178.93 17.82 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.978 -0.63 . . . . 0.93 112.075 -178.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.556 ' HG ' HD21 ' A' ' 18' ' ' LEU . 2.4 mm? -103.07 148.55 35.79 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 120.502 0.192 . . . . 0.97 110.555 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.615 ' HD2' HD21 ' A' ' 48' ' ' LEU . 13.0 Cg_exo -70.63 -163.19 0.11 Allowed 'Trans proline' 0 CA--C 1.528 0.182 0 C-N-CA 123.242 2.628 . . . . 0.69 112.006 172.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -113.44 154.86 26.3 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.967 -0.56 . . . . 2.12 110.114 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.13 27.45 20.91 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.656 -0.783 . . . . 0.63 112.348 175.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.615 HD21 ' HD2' ' A' ' 45' ' ' PRO . 1.2 pp -139.32 45.68 1.95 Allowed 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 120.945 0.403 . . . . 1.06 111.527 -177.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -97.08 173.41 7.27 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.899 -0.32 . . . . 3.0 110.326 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.07 115.07 0.9 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.207 0.527 . . . . 0.37 111.767 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.81 -21.63 12.31 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 115.69 -0.686 . . . . 0.38 112.606 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -79.34 138.34 37.66 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 121.012 0.434 . . . . 0.53 110.53 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.445 ' HA ' ' HA ' ' A' ' 9' ' ' ARG . 34.6 mtt180 -92.46 124.24 36.36 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 108.569 -0.9 . . . . 3.26 108.569 171.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.698 HG21 HD11 ' A' ' 10' ' ' ILE . 15.6 m -126.36 151.22 32.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-O 121.132 0.491 . . . . 0.3 111.758 -176.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.464 ' HA ' HG12 ' A' ' 7' ' ' VAL . . . -109.45 122.53 47.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.169 -0.923 . . . . 0.16 108.684 173.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.68 ' HB3' HG23 ' A' ' 71' ' ' VAL . 51.2 p90 -140.67 170.24 16.13 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.061 0.763 . . . . 0.36 113.061 -168.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.568 ' HB3' ' HG2' ' A' ' 5' ' ' ARG . 36.6 p -132.81 144.76 50.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.863 -1.062 . . . . 1.08 109.498 173.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.512 ' HA ' HG23 ' A' ' 69' ' ' VAL . 42.7 p90 -142.85 157.15 44.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.674 0.273 . . . . 0.41 110.793 -176.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.412 ' HG3' ' CG2' ' A' ' 69' ' ' VAL . 57.8 mtm-85 -107.97 139.63 42.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.311 -0.404 . . . . 3.07 110.166 177.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.467 HD11 ' CZ2' ' A' ' 30' ' ' TRP . 13.3 mt -103.79 121.83 43.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.592 -0.277 . . . . 1.04 111.532 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.408 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 21.8 m-20 -82.76 164.24 47.8 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.14 -0.689 . . . . 1.87 109.14 174.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.408 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 6.7 Cg_exo -73.44 1.79 6.42 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 123.093 2.529 . . . . 1.62 111.956 -176.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -94.6 -14.83 24.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.682 -0.69 . . . . 2.43 109.685 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.95 26.38 10.45 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 110.893 -0.883 . . . . 1.08 110.893 -173.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 87.0 mmm -98.8 137.87 36.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.526 -0.337 . . . . 2.74 110.111 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -117.7 104.47 11.02 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.897 -0.592 . . . . 0.54 109.469 -176.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.89 122.35 45.6 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.021 -0.536 . . . . 0.71 110.587 -176.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.42 HD11 ' HB2' ' A' ' 56' ' ' PHE . 60.5 tp -68.98 126.45 29.83 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.002 -0.999 . . . . 1.18 110.725 -177.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.512 HG23 ' HA ' ' A' ' 58' ' ' PHE . 39.0 t -91.47 -58.36 3.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.114 -0.494 . . . . 1.01 110.116 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.0 p -146.67 147.22 30.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.398 -0.819 . . . . 0.42 109.935 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.68 HG23 ' HB3' ' A' ' 56' ' ' PHE . 7.9 p -144.96 134.45 18.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.889 0.376 . . . . 0.32 110.357 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -128.64 137.39 30.84 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.076 -0.511 . . . . 0.29 110.298 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.401 ' HA ' HG12 ' A' ' 54' ' ' VAL . 20.1 Cg_endo -60.52 132.18 41.98 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.698 2.266 . . . . 0.81 112.191 179.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.765 HE22 ' HB ' ' A' ' 7' ' ' VAL . 10.4 pt20 -127.22 178.49 6.0 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.584 -0.734 . . . . 1.08 110.121 -177.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.41 ' O ' ' HB2' ' A' ' 76' ' ' GLN . 46.2 t -130.31 96.39 2.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 108.037 -1.097 . . . . 1.64 108.037 -174.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 25.0 mt-30 66.58 -93.34 0.03 OUTLIER 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 115.47 -0.786 . . . . 2.57 111.051 -173.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.5 p -115.82 1.32 13.39 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 114.599 -1.182 . . . . 3.72 110.619 176.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.684 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . . . 64.63 13.32 8.22 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.235 -0.893 . . . . 3.65 111.695 178.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.16 4.99 66.15 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.826 -0.702 . . . . 5.36 112.248 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -125.44 122.44 36.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.957 0.408 . . . . 6.59 110.408 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.462 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 55.4 tttp -75.06 128.06 85.6 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 115.931 -0.577 . . . . 10.72 110.7 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 81' ' ' LYS . 2.2 Cg_endo . . . . . 0 C--O 1.247 0.939 0 C-N-CA 123.163 2.575 . . . . 11.77 111.377 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.637 ' HA3' ' O ' ' A' ' 60' ' ' LEU . . . . . . . . 0 N--CA 1.481 1.648 0 N-CA-C 112.226 -0.349 . . . . 1.67 112.226 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -68.67 160.35 49.86 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 123.096 2.53 . . . . 0.95 112.719 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -105.47 116.49 32.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.512 -0.767 . . . . 1.13 109.96 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 64.7 m-70 -113.29 165.3 12.56 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.431 -0.581 . . . . 0.55 109.431 -179.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.512 ' HA ' ' HA ' ' A' ' 57' ' ' SER . 96.9 mtt180 -108.27 155.96 19.9 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.818 0.342 . . . . 2.51 110.724 177.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.406 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . . . -155.25 148.55 24.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.018 -0.537 . . . . 0.41 110.826 177.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.437 ' HB ' HE22 ' A' ' 74' ' ' GLN . 26.9 m -118.84 152.46 21.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.036 -0.529 . . . . 0.24 109.719 173.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.448 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 178.4 -157.99 22.28 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 119.846 -1.168 . . . . 0.28 113.255 178.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.434 ' HA ' ' HD3' ' A' ' 53' ' ' ARG . 14.8 ttm-85 -118.25 132.91 56.28 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.787 -0.449 . . . . 3.19 109.787 -176.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.664 HD11 HG21 ' A' ' 54' ' ' VAL . 52.0 mm -68.44 121.35 17.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 C-N-CA 120.506 -0.478 . . . . 0.23 109.723 176.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -87.67 -50.54 6.43 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.978 -0.555 . . . . 1.13 109.684 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.9 m -161.35 149.67 15.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.169 -0.469 . . . . 0.75 109.909 175.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.717 HG23 HD22 ' A' ' 18' ' ' LEU . 65.6 mt -95.46 127.82 47.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.877 0.37 . . . . 0.77 110.152 175.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -99.8 -155.07 28.14 Favored Glycine 0 CA--C 1.511 -0.161 0 CA-C-N 116.055 -0.521 . . . . 1.06 113.177 -176.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -76.52 -46.34 26.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.385 0.612 . . . . 2.51 110.187 -178.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.16 14.28 1.85 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.208 -0.906 . . . . 3.93 110.307 178.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.869 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 5.5 p -154.85 146.75 23.49 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.872 -0.603 . . . . 0.94 109.663 -179.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.717 HD22 HG23 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -121.71 136.41 54.94 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 109.368 -0.604 . . . . 1.03 109.368 -178.596 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.746 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 17.5 mt -82.0 129.98 36.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 108.683 -0.858 . . . . 0.56 108.683 177.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.1 mt -129.64 127.18 64.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.222 -0.445 . . . . 0.21 110.832 -175.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.48 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -77.46 91.13 3.88 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.159 -0.682 . . . . 0.22 109.159 171.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.448 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 26.4 p80 -89.48 155.08 19.53 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.961 -0.563 . . . . 0.27 110.242 -178.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.39 -165.16 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.973 -0.558 . . . . 3.05 111.505 178.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.611 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -58.62 -47.82 83.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.795 -0.639 . . . . 1.5 111.666 -176.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.504 HG22 ' H ' ' A' ' 28' ' ' ALA . 20.0 mt 74.41 91.41 0.06 OUTLIER Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.83 -0.623 . . . . 0.63 110.855 -177.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.65 -2.42 12.64 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.647 2.231 . . . . 0.97 111.137 175.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.424 ' HB3' ' HB3' ' A' ' 4' ' ' HIS . 4.7 m -78.56 -29.15 46.16 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.087 -0.961 . . . . 1.1 110.613 178.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.504 ' H ' HG22 ' A' ' 25' ' ' ILE . . . -123.17 -4.12 8.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.89 111.226 -178.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 65.16 51.3 1.67 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.383 0.611 . . . . 2.21 111.353 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 49.3 m0 -104.79 174.47 5.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.519 -0.764 . . . . 1.02 110.053 175.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -122.2 41.58 1.81 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.7 -0.762 . . . . 1.67 113.188 -176.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.611 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 69.52 112.38 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.527 0.68 . . . . 0.57 111.853 175.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 24.5 ptp -157.03 151.66 25.56 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.902 -0.59 . . . . 0.84 110.47 -176.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.48 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 32.7 m -88.62 106.52 18.37 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.911 -0.586 . . . . 0.75 110.259 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 77.7 mtp -120.15 163.12 18.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.528 -0.76 . . . . 1.6 111.335 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.746 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 35.3 tt0 -99.54 133.3 44.06 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.25 178.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -112.62 120.74 42.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.727 0.298 . . . . 0.37 110.414 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.869 ' HA ' ' HB3' ' A' ' 17' ' ' SER . . . -76.28 136.6 39.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.924 -0.58 . . . . 0.34 110.646 -178.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.84 153.53 37.68 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.553 -0.294 . . . . 0.6 110.394 -177.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 26.0 Cg_endo -62.96 151.09 86.39 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.159 1.906 . . . . 1.1 110.675 171.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 40' ' ' PRO . 38.9 Cg_exo -57.87 -11.95 10.89 Favored 'Trans proline' 0 N--CA 1.474 0.341 0 C-N-CA 123.086 2.524 . . . . 2.05 112.515 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.81 -26.87 67.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.768 -0.651 . . . . 1.33 111.03 176.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 99.85 171.53 30.16 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.994 -0.622 . . . . 0.93 113.355 174.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.502 ' HG ' HD11 ' A' ' 18' ' ' LEU . 2.9 mm? -96.92 150.26 36.66 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 120.904 0.383 . . . . 0.97 111.062 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.726 ' HD2' HD21 ' A' ' 48' ' ' LEU . 6.0 Cg_exo -73.79 -165.41 0.25 Allowed 'Trans proline' 0 CA--C 1.52 -0.221 0 C-N-CA 123.627 2.884 . . . . 0.69 111.801 170.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.641 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 0.6 OUTLIER -110.21 154.06 23.9 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.397 -0.82 . . . . 2.12 110.11 179.21 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.16 20.49 20.52 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.765 -0.731 . . . . 0.63 111.961 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.726 HD21 ' HD2' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -136.87 47.47 2.14 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.876 0.37 . . . . 1.06 111.699 -177.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.575 ' HG2' ' OD2' ' A' ' 52' ' ' ASP . 9.8 ptpp? -95.61 169.21 10.19 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.608 -0.516 . . . . 3.0 109.608 -177.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.24 113.93 1.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.83 0.347 . . . . 0.37 110.727 178.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.56 -23.22 10.44 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.918 -0.658 . . . . 0.38 112.497 -177.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.575 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 8.7 m-20 -74.14 155.09 38.79 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 121.645 0.735 . . . . 0.53 110.902 -177.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.434 ' HD3' ' HA ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -110.69 116.61 31.61 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.109 -0.95 . . . . 3.26 108.474 174.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.664 HG21 HD11 ' A' ' 10' ' ' ILE . 15.6 m -124.19 150.42 28.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-O 121.046 0.451 . . . . 0.3 111.442 -174.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.31 120.23 41.9 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.588 -0.893 . . . . 0.16 108.588 174.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.532 ' HB3' HG23 ' A' ' 71' ' ' VAL . 47.7 p90 -139.19 171.71 13.89 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.799 0.666 . . . . 0.36 112.799 -169.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.512 ' HA ' ' HA ' ' A' ' 5' ' ' ARG . 44.5 p -126.01 147.67 49.48 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.842 -1.072 . . . . 1.08 109.318 175.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.467 ' HA ' HG23 ' A' ' 69' ' ' VAL . 30.3 p90 -147.56 155.39 41.79 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.66 0.266 . . . . 0.41 110.827 -177.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -104.38 160.64 14.74 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.944 -0.391 . . . . 3.07 109.944 175.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.637 ' O ' ' HA3' ' A' ' 1' ' ' GLY . 18.2 mt -125.53 114.41 18.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.942 -0.572 . . . . 1.04 110.656 173.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.712 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 59.9 m-20 -79.97 164.66 51.74 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 108.607 -0.886 . . . . 1.87 108.607 176.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.417 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 16.9 Cg_exo -67.85 0.97 3.67 Favored 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 122.898 2.399 . . . . 1.62 113.524 -170.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -105.25 -8.25 18.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.215 0.531 . . . . 2.43 110.562 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.09 31.45 7.27 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.498 -0.774 . . . . 1.08 111.281 -175.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.712 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 82.7 mmm -87.81 124.12 33.3 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.92 -0.4 . . . . 2.74 109.92 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -106.61 107.2 18.1 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.947 -0.569 . . . . 0.54 109.628 -175.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.1 120.74 43.44 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.088 -0.505 . . . . 0.71 110.873 -175.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.33 116.67 14.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.773 -0.649 . . . . 1.18 109.367 -178.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.467 HG23 ' HA ' ' A' ' 58' ' ' PHE . 24.0 t -88.21 -66.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.03 0.443 . . . . 1.01 110.436 -177.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.4 p -138.0 143.54 40.67 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.029 -0.532 . . . . 0.42 109.94 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.532 HG23 ' HB3' ' A' ' 56' ' ' PHE . 7.3 p -135.81 129.97 48.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.057 0.456 . . . . 0.32 110.232 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -118.44 139.06 26.4 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 116.11 -0.495 . . . . 0.29 110.23 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -64.06 107.7 0.83 Allowed 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.539 2.16 . . . . 0.81 112.374 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.437 HE22 ' HB ' ' A' ' 7' ' ' VAL . 8.8 pt20 -99.94 178.56 4.77 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.502 -0.925 . . . . 1.08 108.502 174.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.8 p -139.34 94.62 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.199 0 CA-C-O 121.735 0.778 . . . . 1.64 109.555 -176.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 60.82 -96.46 0.06 Allowed 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 114.234 -1.348 . . . . 2.57 111.341 -175.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.7 m -114.31 102.17 9.86 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 115.828 -0.623 . . . . 3.72 109.985 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.41 -33.07 70.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.295 -0.866 . . . . 3.65 111.862 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 163.92 -149.03 15.77 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.731 -0.747 . . . . 5.36 112.333 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.72 140.96 29.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.83 0.348 . . . . 6.59 110.727 -179.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 20.7 pttp -92.63 146.02 31.5 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.294 -0.412 . . . . 10.72 110.365 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 81' ' ' LYS . 7.9 Cg_exo . . . . . 0 C--O 1.246 0.908 0 C-N-CA 122.982 2.454 . . . . 11.77 111.197 172.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.742 0 N-CA-C 112.022 -0.431 . . . . 1.67 112.022 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -63.41 152.97 77.45 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.216 2.61 . . . . 0.95 112.892 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -90.86 129.73 36.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.462 -0.79 . . . . 1.13 110.289 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.448 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 89.1 m-70 -125.88 141.66 51.88 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.569 -0.287 . . . . 0.55 110.573 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.67 ' HD3' ' OG ' ' A' ' 57' ' ' SER . 46.5 mmt-85 -67.99 145.15 54.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.853 -0.612 . . . . 2.51 110.298 177.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -153.47 136.7 15.67 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 120.728 0.299 . . . . 0.41 110.685 175.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.628 ' HB ' HE22 ' A' ' 74' ' ' GLN . 35.0 m -120.11 152.26 22.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.703 -0.48 . . . . 0.24 109.703 175.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.65 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 178.77 -170.67 42.66 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.331 -0.938 . . . . 0.28 112.544 179.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.4 ttt-85 -116.07 130.52 56.85 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.64 -0.504 . . . . 3.19 109.64 -177.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.527 HD11 HG21 ' A' ' 54' ' ' VAL . 31.0 mm -62.86 134.12 28.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.173 -0.467 . . . . 0.23 110.652 -177.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -99.18 -47.1 5.32 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.0 -0.545 . . . . 1.13 109.831 -178.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.0 m -161.67 151.28 16.5 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.438 -0.578 . . . . 0.75 109.438 176.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.771 HD11 ' HA ' ' A' ' 49' ' ' LYS . 52.5 mt -101.27 137.1 30.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.21 0.528 . . . . 0.77 111.318 178.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.707 ' H ' ' HB3' ' A' ' 18' ' ' LEU . . . -126.64 160.98 21.01 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.999 -0.84 . . . . 1.06 110.999 173.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -62.73 -40.14 96.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.012 0.434 . . . . 2.51 111.944 -175.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.95 -12.64 8.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.275 -0.421 . . . . 3.93 111.706 -176.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.453 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 1.9 p -157.05 141.42 16.55 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.217 -0.447 . . . . 0.94 110.036 178.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.707 ' HB3' ' H ' ' A' ' 14' ' ' GLY . 0.5 OUTLIER -139.27 139.64 37.43 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.025 0.441 . . . . 1.03 110.833 -177.581 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.878 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 15.7 mt -85.05 130.59 35.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.949 -0.569 . . . . 0.56 110.236 -174.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.9 mt -130.04 122.51 54.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.107 -0.497 . . . . 0.21 110.536 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.614 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -74.33 90.9 2.16 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.35 -0.611 . . . . 0.22 109.35 173.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.65 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 26.6 p80 -87.02 155.66 20.07 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.853 -0.612 . . . . 0.27 110.326 -178.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -66.55 -166.35 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.892 -0.594 . . . . 3.05 110.953 177.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.589 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -60.01 -45.47 92.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.981 -0.554 . . . . 1.5 111.242 -179.634 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.544 HG22 ' H ' ' A' ' 28' ' ' ALA . 44.9 mt 74.09 94.21 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.015 -0.539 . . . . 0.63 111.091 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.78 -17.4 29.29 Favored 'Trans proline' 0 CA--C 1.527 0.17 0 C-N-CA 122.431 2.088 . . . . 0.97 111.797 178.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.448 ' CB ' ' HB3' ' A' ' 4' ' ' HIS . 14.6 m -72.29 -29.68 64.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.712 -0.676 . . . . 1.1 111.028 -179.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.544 ' H ' HG22 ' A' ' 25' ' ' ILE . . . -114.02 -1.37 13.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.33 -0.396 . . . . 0.89 110.627 -179.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 59.46 35.44 22.9 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.37 -0.832 . . . . 2.21 111.302 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 47.4 m0 -89.2 173.74 8.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.039 -0.528 . . . . 1.02 110.605 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.32 35.52 3.6 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.701 -0.762 . . . . 1.67 113.232 -176.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.589 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 69.43 127.3 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.281 0.632 . . . . 0.57 112.448 176.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 15.0 ptt? -171.82 147.96 2.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.658 -0.701 . . . . 0.84 110.346 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.614 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 6.7 m -78.51 102.23 7.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.03 -0.532 . . . . 0.75 109.893 179.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 37.9 ttm -123.72 143.9 50.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.364 -0.38 . . . . 1.6 111.352 -174.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.878 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 45.0 tt0 -83.94 133.32 34.71 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.552 -0.749 . . . . 1.0 110.745 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -110.7 145.35 38.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.237 -0.438 . . . . 0.37 110.118 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.638 ' HB3' HG23 ' A' ' 67' ' ' THR . . . -82.68 142.5 31.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.518 -0.31 . . . . 0.34 110.201 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.75 142.51 98.2 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.561 -0.29 . . . . 0.6 111.148 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.19 153.53 52.14 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.717 2.278 . . . . 1.1 111.529 176.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -61.87 -16.12 47.3 Favored 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 122.807 2.338 . . . . 2.05 112.785 -177.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.97 -15.89 31.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.239 -0.437 . . . . 1.33 111.021 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 112.91 -172.55 14.58 Favored Glycine 0 N--CA 1.44 -1.057 0 C-N-CA 120.9 -0.667 . . . . 0.93 111.629 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.1 mt -109.03 137.3 20.1 Favored Pre-proline 0 C--N 1.314 -0.937 0 CA-C-O 121.085 0.469 . . . . 0.97 111.335 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.636 ' HD2' HD21 ' A' ' 48' ' ' LEU . 71.7 Cg_endo -85.47 -166.61 0.35 Allowed 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 123.444 2.763 . . . . 0.69 111.787 173.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.643 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 0.6 OUTLIER -117.47 146.15 43.7 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.45 -0.796 . . . . 2.12 110.183 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.87 15.43 9.29 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.941 -0.647 . . . . 0.63 111.707 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.636 HD21 ' HD2' ' A' ' 45' ' ' PRO . 0.4 OUTLIER -134.05 45.65 2.6 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 111.693 0.256 . . . . 1.06 111.693 -175.794 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.771 ' HA ' HD11 ' A' ' 13' ' ' ILE . 18.6 ptpt -95.61 164.23 12.87 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.304 -0.559 . . . . 3.0 111.134 -175.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.87 110.08 0.32 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.582 -0.735 . . . . 0.37 111.848 -177.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.63 -9.69 12.81 Favored Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.572 -0.823 . . . . 0.38 112.736 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -93.65 157.94 15.93 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 121.09 0.472 . . . . 0.53 111.1 177.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.982 ' HD3' ' HA ' ' A' ' 76' ' ' GLN . 15.9 ttt180 -108.89 127.76 54.32 Favored 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 108.677 -0.861 . . . . 3.26 108.677 171.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.572 ' HA ' ' H ' ' A' ' 74' ' ' GLN . 10.7 m -130.15 154.55 40.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.421 -0.354 . . . . 0.3 110.619 -177.099 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.469 ' HB2' ' HG3' ' A' ' 74' ' ' GLN . . . -108.32 122.36 46.81 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.922 -0.77 . . . . 0.16 108.922 175.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.687 ' HB3' HG23 ' A' ' 71' ' ' VAL . 47.0 p90 -142.1 -177.06 5.05 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.542 -0.299 . . . . 0.36 110.958 -172.093 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.67 ' OG ' ' HD3' ' A' ' 5' ' ' ARG . 28.8 m -139.36 -176.91 4.69 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 109.229 -0.656 . . . . 1.08 109.229 167.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -162.28 158.16 23.86 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 120.709 0.29 . . . . 0.41 110.237 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.401 ' HG3' ' CG1' ' A' ' 69' ' ' VAL . 40.4 mtm180 -105.73 139.49 40.23 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.67 -0.863 . . . . 3.07 108.67 172.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 60' ' ' LEU . 11.4 mt -89.5 115.97 27.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.175 0.512 . . . . 1.04 110.648 178.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 1.009 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 1.4 m-20 -86.55 164.43 37.63 Favored Pre-proline 0 C--N 1.315 -0.916 0 CA-C-N 115.419 -0.81 . . . . 1.87 108.941 178.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.449 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 35.1 Cg_exo -59.99 -18.83 52.5 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 123.214 2.609 . . . . 1.62 114.589 -165.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.484 ' HB2' ' SD ' ' A' ' 65' ' ' MET . 12.3 m-70 -90.67 -1.6 57.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.928 0.394 . . . . 2.43 111.605 -178.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.51 28.62 21.52 Favored Glycine 0 C--N 1.314 -0.678 0 N-CA-C 109.524 -1.43 . . . . 1.08 109.524 -171.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 1.009 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 44.5 mtp -84.04 144.86 28.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.424 -0.888 . . . . 2.74 109.506 -177.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -119.37 97.99 5.93 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.265 -0.643 . . . . 0.54 109.265 -175.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.638 HG23 ' HB3' ' A' ' 38' ' ' ALA . 2.9 m -98.61 118.58 35.64 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 115.381 -0.827 . . . . 0.71 110.616 -175.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 44.5 tp -62.81 127.71 32.51 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.628 -0.715 . . . . 1.18 110.52 -176.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.644 HG22 ' C ' ' A' ' 57' ' ' SER . 15.2 m -97.68 -58.48 3.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.907 -0.588 . . . . 1.01 111.339 -178.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.598 ' H ' HG23 ' A' ' 69' ' ' VAL . 4.2 p -147.33 139.56 24.5 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.574 -0.739 . . . . 0.42 109.318 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.687 HG23 ' HB3' ' A' ' 56' ' ' PHE . 11.5 p -135.42 140.31 45.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.825 0.345 . . . . 0.32 110.408 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -133.84 138.12 30.12 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 116.259 -0.428 . . . . 0.29 110.205 176.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.557 ' HA ' HG12 ' A' ' 54' ' ' VAL . 78.3 Cg_exo -52.5 113.95 1.45 Allowed 'Trans proline' 0 CA--C 1.532 0.415 0 C-N-CA 123.072 2.515 . . . . 0.81 112.691 179.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.628 HE22 ' HB ' ' A' ' 7' ' ' VAL . 0.5 OUTLIER -89.59 173.63 8.21 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.041 -0.527 . . . . 1.08 110.207 178.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.2 t -135.52 76.95 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.324 -0.621 . . . . 1.64 109.324 174.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.982 ' HA ' ' HD3' ' A' ' 53' ' ' ARG . 10.2 pt20 42.02 -101.08 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.232 -0.895 . . . . 2.57 113.398 -176.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.587 ' H ' ' HG3' ' A' ' 76' ' ' GLN . 4.7 m -84.08 -1.09 54.23 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 112.491 0.552 . . . . 3.72 112.491 -172.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.05 102.54 3.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.955 0.407 . . . . 3.65 110.522 178.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 139.77 -15.48 3.1 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.541 -0.623 . . . . 5.36 111.541 -176.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -141.72 172.01 13.28 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.036 -0.357 . . . . 6.59 110.036 177.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 48.6 pttt -97.0 132.16 26.35 Favored Pre-proline 0 C--N 1.323 -0.569 0 C-N-CA 120.737 -0.385 . . . . 10.72 110.353 177.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo . . . . . 0 C--O 1.25 1.098 0 C-N-CA 122.455 2.103 . . . . 11.77 111.795 175.373 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.907 0 N-CA-C 111.812 -0.515 . . . . 1.67 111.812 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -62.75 124.8 14.74 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 123.395 2.73 . . . . 0.95 112.973 -174.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 59' ' ' ARG . 34.5 tt0 -95.83 121.88 38.02 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.059 -0.973 . . . . 1.13 109.597 179.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.421 ' HB3' ' OG ' ' A' ' 27' ' ' SER . 67.0 m-70 -122.97 125.81 45.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.181 -0.463 . . . . 0.55 110.023 -176.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.828 ' HG2' ' HB2' ' A' ' 57' ' ' SER . 75.0 mtt180 -75.42 141.54 43.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.833 0.349 . . . . 2.51 110.726 176.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -146.99 144.47 29.19 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.405 -0.816 . . . . 0.41 110.697 -178.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.6 m -111.97 152.07 13.89 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 115.904 -0.589 . . . . 0.24 110.419 175.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.483 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 178.77 -166.96 37.03 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.373 -0.918 . . . . 0.28 112.301 178.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.421 ' HA ' ' HA ' ' A' ' 53' ' ' ARG . 62.7 ttt180 -123.11 136.1 54.65 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.377 -0.601 . . . . 3.19 109.377 -178.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.659 HD11 HG21 ' A' ' 54' ' ' VAL . 30.9 mm -67.53 133.27 31.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.906 0.384 . . . . 0.23 110.11 -176.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.565 ' HG2' HG21 ' A' ' 34' ' ' THR . 2.9 tp-100 -93.69 -49.72 5.72 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.91 -0.587 . . . . 1.13 109.656 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.556 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 43.5 m -161.66 153.03 18.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.979 -0.555 . . . . 0.75 110.114 177.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.809 HG23 HD22 ' A' ' 18' ' ' LEU . 42.9 mt -99.82 134.03 40.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.733 0.301 . . . . 0.77 110.301 177.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' A' ' 17' ' ' SER . . . -102.29 -150.84 23.34 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 121.249 -0.501 . . . . 1.06 111.958 178.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -100.75 -36.99 8.91 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.409 0.623 . . . . 2.51 109.84 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.21 3.35 2.86 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.305 -0.861 . . . . 3.93 110.55 178.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.4 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 8.3 p -155.29 147.81 24.07 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.587 -0.733 . . . . 0.94 109.711 179.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.809 HD22 HG23 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -124.59 145.95 49.32 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 109.53 -0.544 . . . . 1.03 109.53 179.477 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.626 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 20.3 mt -92.6 129.83 42.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 N-CA-C 109.459 -0.571 . . . . 0.56 109.459 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 54.3 mt -129.47 128.5 66.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.315 -0.402 . . . . 0.21 111.052 -176.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.528 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -77.87 94.41 4.54 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.281 -0.637 . . . . 0.22 109.281 171.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.483 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 25.6 p80 -96.77 153.77 17.68 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.275 -0.42 . . . . 0.27 111.193 -176.271 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -63.59 -169.51 0.03 OUTLIER 'General case' 0 C--O 1.239 0.517 0 CA-C-N 115.249 -0.887 . . . . 3.05 111.381 175.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.554 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -63.85 -32.09 73.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.01 -0.541 . . . . 1.5 111.534 -176.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.452 HD12 ' CE3' ' A' ' 30' ' ' TRP . 52.9 mt 67.86 86.15 0.13 Allowed Pre-proline 0 C--N 1.321 -0.648 0 CA-C-O 121.037 0.446 . . . . 0.63 110.145 -178.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -72.56 -3.18 12.98 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.89 2.393 . . . . 0.97 112.065 -177.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.421 ' OG ' ' HB3' ' A' ' 4' ' ' HIS . 6.1 p -90.82 -21.23 21.59 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.121 -0.49 . . . . 1.1 110.731 178.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -117.42 -7.45 11.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.411 -0.358 . . . . 0.89 111.239 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 62.86 42.26 7.97 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.991 -0.55 . . . . 2.21 111.623 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.452 ' CE3' HD12 ' A' ' 25' ' ' ILE . 48.3 m0 -92.8 173.94 7.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.159 -0.473 . . . . 1.02 109.795 175.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.65 29.38 6.95 Favored Glycine 0 C--N 1.32 -0.354 0 C-N-CA 120.197 -1.001 . . . . 1.67 113.611 -174.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.554 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 68.53 123.79 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.126 0.571 . . . . 0.57 112.05 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 17.2 ptt? -172.14 152.79 2.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.792 -0.64 . . . . 0.84 110.786 -178.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.565 HG21 ' HG2' ' A' ' 11' ' ' GLN . 46.4 m -82.56 105.22 13.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.013 -0.539 . . . . 0.75 110.446 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 81.3 mtp -120.36 164.69 15.95 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 116.082 -0.508 . . . . 1.6 111.88 -177.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.626 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 41.0 tt0 -101.95 131.35 48.4 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.441 -0.799 . . . . 1.0 110.444 179.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -115.41 140.54 49.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.37 110.337 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.63 149.34 27.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.211 -0.45 . . . . 0.34 110.998 -176.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.91 134.77 95.15 Favored Pre-proline 0 C--O 1.236 0.379 0 CA-C-N 116.423 -0.353 . . . . 0.6 111.825 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.411 ' HD3' ' HB3' ' A' ' 68' ' ' LEU . 18.8 Cg_endo -61.28 157.84 38.36 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 123.075 2.517 . . . . 1.1 111.975 175.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -63.9 -8.6 16.29 Favored 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 122.806 2.337 . . . . 2.05 112.958 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.93 -15.86 25.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.477 -0.329 . . . . 1.33 111.502 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.14 174.88 26.44 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 120.942 -0.646 . . . . 0.93 111.545 -177.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.453 HD13 HD21 ' A' ' 18' ' ' LEU . 66.3 mt -104.69 133.52 20.13 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-O 120.88 0.371 . . . . 0.97 111.292 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.494 ' HD2' HD21 ' A' ' 48' ' ' LEU . 84.1 Cg_endo -83.15 -173.09 1.55 Allowed 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 123.496 2.798 . . . . 0.69 111.987 175.124 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -98.48 157.37 16.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.301 -0.409 . . . . 2.12 110.776 172.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.23 14.58 27.99 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.787 -0.721 . . . . 0.63 111.709 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.783 HD23 HG11 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -127.48 46.75 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.761 0.315 . . . . 1.06 111.116 179.569 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.561 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 7.1 ptpp? -95.3 164.4 12.85 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.725 -0.39 . . . . 3.0 110.395 -173.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.556 ' HB2' ' HA ' ' A' ' 12' ' ' SER . . . -54.14 103.17 0.07 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.701 -0.681 . . . . 0.37 110.543 176.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 125.97 -20.67 6.32 Favored Glycine 0 N--CA 1.442 -0.956 0 C-N-CA 120.86 -0.686 . . . . 0.38 112.549 -178.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.532 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 62.8 m-20 -80.49 146.39 31.39 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 116.964 0.382 . . . . 0.53 110.709 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.467 ' HD3' ' HA ' ' A' ' 76' ' ' GLN . 32.8 ttm105 -102.27 122.59 44.51 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.343 -0.614 . . . . 3.26 109.343 172.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.659 HG21 HD11 ' A' ' 10' ' ' ILE . 17.2 m -127.98 153.32 37.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.283 0.563 . . . . 0.3 111.768 -172.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.4 118.92 37.92 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.555 -0.905 . . . . 0.16 108.555 173.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.672 ' HB3' HG23 ' A' ' 71' ' ' VAL . 50.5 p90 -138.3 -179.58 5.88 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.765 0.317 . . . . 0.36 111.176 -171.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.828 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 32.2 t -135.59 -178.28 5.05 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 107.864 -1.161 . . . . 1.08 107.864 168.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -171.66 155.56 4.06 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.785 -0.45 . . . . 0.41 109.785 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 59' ' ' ARG . 8.3 mtm180 -108.62 149.13 29.35 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.928 -0.397 . . . . 3.07 109.928 178.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.43 ' HA ' HD23 ' A' ' 60' ' ' LEU . 10.8 mt -94.73 105.39 17.33 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.956 -0.757 . . . . 1.04 108.956 166.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.652 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 22.1 m-20 -77.61 160.0 75.72 Favored Pre-proline 0 C--N 1.314 -0.953 0 N-CA-C 108.553 -0.906 . . . . 1.87 108.553 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -66.82 1.42 2.76 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 123.205 2.604 . . . . 1.62 113.952 -169.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -102.83 2.84 35.99 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.026 0.441 . . . . 2.43 110.655 176.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.54 34.07 29.47 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.276 -1.13 . . . . 1.08 110.276 -174.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.652 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 92.2 mmm -96.5 147.72 23.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.108 -0.546 . . . . 2.74 110.253 -177.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.94 97.4 5.67 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.631 -0.878 . . . . 0.54 108.631 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.4 m -110.41 123.67 50.31 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.592 -0.731 . . . . 0.71 111.12 -172.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.411 ' HB3' ' HD3' ' A' ' 40' ' ' PRO . 56.6 tp -65.18 136.99 57.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.253 -0.885 . . . . 1.18 109.955 -179.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.613 HG22 ' C ' ' A' ' 57' ' ' SER . 14.1 m -104.44 -57.13 4.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.11 0.481 . . . . 1.01 111.782 -178.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.565 ' H ' HG23 ' A' ' 69' ' ' VAL . 13.8 p -145.42 145.59 31.19 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.822 -0.807 . . . . 0.42 108.822 -178.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.783 HG11 HD23 ' A' ' 48' ' ' LEU . 8.7 p -142.43 137.81 29.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.894 0.378 . . . . 0.32 110.427 -179.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -137.12 137.95 24.2 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.232 -0.44 . . . . 0.29 110.682 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -61.4 126.37 19.09 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.725 2.283 . . . . 0.81 111.716 177.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.525 ' HG2' ' C ' ' A' ' 54' ' ' VAL . 1.8 pt20 -128.27 175.75 8.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.307 0.575 . . . . 1.08 111.154 -176.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.591 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 9.5 m -128.93 73.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.629 -0.714 . . . . 1.64 110.928 -176.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.591 ' HG2' ' O ' ' A' ' 75' ' ' VAL . 19.2 pt20 58.13 -60.62 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.312 1.445 . . . . 2.57 114.869 176.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.482 HG23 ' HG3' ' A' ' 76' ' ' GLN . 11.5 p -87.91 23.35 2.07 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 113.144 0.794 . . . . 3.72 113.144 -173.117 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.49 23.9 1.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.148 0.499 . . . . 3.65 110.924 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -151.23 -72.73 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 111.548 -0.621 . . . . 5.36 111.548 178.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -149.08 -177.88 6.06 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.794 -0.447 . . . . 6.59 109.794 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 45.0 tttm -100.43 121.47 53.15 Favored Pre-proline 0 C--N 1.324 -0.508 0 C-N-CA 121.151 -0.219 . . . . 10.72 110.57 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo . . . . . 0 N--CA 1.444 -1.385 0 C-N-CA 122.811 2.341 . . . . 11.77 111.201 172.436 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.712 0 N-CA-C 112.026 -0.43 . . . . 1.67 112.026 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -64.26 147.62 91.08 Favored 'Trans proline' 0 C--O 1.237 0.457 0 C-N-CA 123.0 2.467 . . . . 0.95 112.816 -176.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.403 ' HB2' ' HG2' ' A' ' 59' ' ' ARG . 55.9 tt0 -99.49 133.88 43.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.613 -0.721 . . . . 1.13 109.921 -178.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.569 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 83.5 m-70 -125.54 148.17 49.0 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.28 -0.267 . . . . 0.55 110.28 -178.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.636 ' HD3' ' HB3' ' A' ' 57' ' ' SER . 26.8 mmt180 -79.69 143.67 34.39 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 110.065 -0.346 . . . . 2.51 110.065 178.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -153.13 139.38 18.44 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.871 0.367 . . . . 0.41 110.741 177.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.529 HG23 ' HG3' ' A' ' 23' ' ' GLU . 28.0 m -117.28 149.23 19.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.458 -0.337 . . . . 0.24 110.233 176.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.445 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -173.56 -166.14 31.41 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.433 -0.889 . . . . 0.28 112.779 177.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -121.25 147.49 45.56 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.167 -0.308 . . . . 3.19 110.167 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.605 HD11 HG21 ' A' ' 54' ' ' VAL . 34.9 mm -83.38 128.97 38.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.455 -0.339 . . . . 0.23 111.415 -178.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 -92.7 -50.82 5.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.0 0.429 . . . . 1.13 110.116 173.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.1 m -160.16 150.57 18.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.788 -0.642 . . . . 0.75 109.934 177.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.671 HD11 ' HA ' ' A' ' 49' ' ' LYS . 76.4 mt -99.25 144.11 12.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.192 -0.458 . . . . 0.77 110.67 -179.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.651 ' H ' ' HB3' ' A' ' 18' ' ' LEU . . . -128.25 160.48 22.02 Favored Glycine 0 N--CA 1.44 -1.051 0 N-CA-C 110.949 -0.86 . . . . 1.06 110.949 175.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -68.55 -33.74 74.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.056 0.455 . . . . 2.51 110.896 -176.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.452 ' H ' ' HD2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -115.5 -25.49 7.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.028 -0.533 . . . . 3.93 110.504 -176.844 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.496 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 17.9 p -158.15 149.05 20.78 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.028 -0.533 . . . . 0.94 110.182 -178.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.651 ' HB3' ' H ' ' A' ' 14' ' ' GLY . 0.7 OUTLIER -140.01 160.16 40.56 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.181 -0.463 . . . . 1.03 110.778 -176.88 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.558 HG22 HG22 ' A' ' 34' ' ' THR . 8.1 mt -103.25 130.92 52.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.218 -0.447 . . . . 0.56 111.024 -173.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.478 HG12 HD13 ' A' ' 10' ' ' ILE . 88.0 mt -132.87 120.91 43.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.288 -0.869 . . . . 0.21 110.475 -178.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.675 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -72.86 91.23 1.5 Allowed 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.133 -0.691 . . . . 0.22 109.133 170.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.445 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 28.8 p80 -84.76 154.26 22.51 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.585 -0.734 . . . . 0.27 110.432 -178.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.529 ' HG3' HG23 ' A' ' 7' ' ' VAL . 5.6 mm-40 -63.94 -170.54 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.395 -0.82 . . . . 3.05 110.326 174.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.77 -43.73 98.27 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.053 -0.521 . . . . 1.5 110.91 -178.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.402 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 51.9 mt 71.95 90.06 0.08 OUTLIER Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 115.619 -0.719 . . . . 0.63 111.144 179.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 25' ' ' ILE . 33.5 Cg_endo -66.45 -19.15 55.31 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.585 2.19 . . . . 0.97 111.334 176.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.569 ' HB3' ' HB3' ' A' ' 4' ' ' HIS . 3.4 m -61.02 -30.92 70.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.343 -0.844 . . . . 1.1 111.457 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.99 2.23 9.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.294 -0.412 . . . . 0.89 111.371 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 60.18 36.77 20.95 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.325 0.583 . . . . 2.21 110.9 -178.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 31.4 m0 -94.42 175.23 6.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.512 -0.767 . . . . 1.02 111.462 -178.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -104.68 167.27 15.3 Favored Glycine 0 N--CA 1.442 -0.958 0 CA-C-N 115.212 -0.904 . . . . 1.67 111.231 171.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.0 119.98 20.7 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.761 0.315 . . . . 0.57 110.271 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -163.25 152.8 15.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.368 0.604 . . . . 0.84 111.739 -175.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.675 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 3.4 m -79.18 109.02 13.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.005 -0.998 . . . . 0.75 110.231 179.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 72.5 mtp -125.62 164.68 20.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.171 -0.468 . . . . 1.6 112.221 -179.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -101.11 137.23 39.74 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.379 -0.828 . . . . 1.0 110.499 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -117.53 131.13 56.75 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.491 -0.559 . . . . 0.37 109.491 176.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.605 ' HB3' HG23 ' A' ' 67' ' ' THR . . . -70.81 131.22 43.49 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.906 -0.405 . . . . 0.34 109.906 178.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.1 145.61 65.59 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 116.343 -0.39 . . . . 0.6 111.089 -176.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -61.77 152.73 72.44 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.36 2.04 . . . . 1.1 110.973 175.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.89 -16.74 40.03 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.995 2.463 . . . . 2.05 112.55 -177.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.75 -28.88 62.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.175 -0.466 . . . . 1.33 110.813 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 109.4 -176.17 19.39 Favored Glycine 0 N--CA 1.44 -1.073 0 N-CA-C 111.352 -0.699 . . . . 0.93 111.352 -178.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.469 ' HG ' ' CD2' ' A' ' 18' ' ' LEU . 2.7 mm? -101.12 141.59 22.92 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-O 120.635 0.255 . . . . 0.97 111.02 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.559 ' HD2' HD21 ' A' ' 48' ' ' LEU . 57.2 Cg_endo -78.09 -168.34 0.6 Allowed 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 123.034 2.489 . . . . 0.69 112.131 174.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.698 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -108.6 151.32 26.28 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.812 -0.631 . . . . 2.12 110.288 179.544 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.36 15.1 22.32 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 116.133 -0.485 . . . . 0.63 112.3 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.559 HD21 ' HD2' ' A' ' 45' ' ' PRO . 0.4 OUTLIER -133.19 53.1 2.04 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.953 0.406 . . . . 1.06 111.613 -177.29 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.671 ' HA ' HD11 ' A' ' 13' ' ' ILE . 32.7 mmtp -93.75 162.35 13.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.505 -0.316 . . . . 3.0 110.608 -175.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.91 112.2 0.49 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.045 -0.525 . . . . 0.37 110.815 174.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.62 -11.87 25.53 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.675 -0.774 . . . . 0.38 112.768 -178.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -86.15 155.07 20.91 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 121.101 0.477 . . . . 0.53 110.796 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.566 ' HG2' ' NE2' ' A' ' 74' ' ' GLN . 19.8 ttt85 -106.28 127.97 53.63 Favored 'General case' 0 N--CA 1.435 -1.175 0 N-CA-C 108.181 -1.044 . . . . 3.26 108.181 170.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.605 HG21 HD11 ' A' ' 10' ' ' ILE . 12.5 m -128.81 144.69 37.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.007 0.432 . . . . 0.3 111.48 -174.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.61 ' HB2' ' HG3' ' A' ' 74' ' ' GLN . . . -105.83 120.91 42.93 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.847 -0.797 . . . . 0.16 108.847 175.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.522 ' HB3' HG23 ' A' ' 71' ' ' VAL . 41.9 p90 -138.14 179.14 6.62 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.43 0.634 . . . . 0.36 112.071 -171.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.636 ' HB3' ' HD3' ' A' ' 5' ' ' ARG . 12.1 p -138.32 142.65 39.74 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.153 -0.93 . . . . 1.08 109.631 171.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -130.77 155.76 46.12 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.975 -0.557 . . . . 0.41 109.839 -177.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.617 ' HG3' HG21 ' A' ' 69' ' ' VAL . 76.2 mtt180 -107.33 137.39 45.46 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.856 0.36 . . . . 3.07 110.477 177.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 65' ' ' MET . 16.4 mt -103.68 127.44 51.14 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.487 -0.779 . . . . 1.04 110.554 178.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.459 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 1.6 m-20 -92.22 167.31 15.24 Favored Pre-proline 0 C--N 1.319 -0.75 0 N-CA-C 109.204 -0.665 . . . . 1.87 109.204 172.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.459 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 13.3 Cg_exo -68.42 -4.82 13.66 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.969 2.446 . . . . 1.62 111.735 -174.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.603 ' HB2' ' HG3' ' A' ' 65' ' ' MET . 82.7 m-70 -88.74 -12.6 41.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.28 -0.873 . . . . 2.43 109.988 177.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.96 32.94 16.39 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.102 -0.954 . . . . 1.08 110.966 -175.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.603 ' HG3' ' HB2' ' A' ' 63' ' ' HIS . 43.6 mtm -95.72 142.22 28.27 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 109.509 -0.552 . . . . 2.74 109.509 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.84 105.56 11.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.256 0.55 . . . . 0.54 110.04 -174.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.605 HG23 ' HB3' ' A' ' 38' ' ' ALA . 1.4 m -108.62 126.84 53.4 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.645 -0.707 . . . . 0.71 110.312 -177.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.46 130.79 40.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.105 -0.498 . . . . 1.18 109.661 -177.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.617 HG21 ' HG3' ' A' ' 59' ' ' ARG . 12.6 t -107.0 -67.36 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.063 0.458 . . . . 1.01 110.728 -178.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.7 p -132.05 130.72 41.67 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.142 -0.481 . . . . 0.42 110.881 -178.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.522 HG23 ' HB3' ' A' ' 56' ' ' PHE . 7.2 p -130.79 132.96 63.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.249 -0.432 . . . . 0.32 110.42 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -123.39 142.01 37.65 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.091 -0.504 . . . . 0.29 110.137 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -54.23 110.88 0.57 Allowed 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.859 2.373 . . . . 0.81 112.7 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.61 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 1.7 tt0 -81.79 173.82 11.92 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.819 -0.628 . . . . 1.08 109.829 176.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.444 ' O ' ' HB2' ' A' ' 76' ' ' GLN . 5.4 m -140.76 83.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 115.83 -0.623 . . . . 1.64 109.447 178.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.444 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 14.7 mm100 68.64 -157.53 0.18 Allowed 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 115.271 -0.877 . . . . 2.57 109.458 -176.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.401 ' H ' ' HB3' ' A' ' 76' ' ' GLN . 16.4 m -68.69 99.17 0.97 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.084 0.468 . . . . 3.72 110.645 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -122.25 90.21 3.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.811 -0.631 . . . . 3.65 110.298 178.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -166.58 57.09 0.24 Allowed Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 110.899 -0.88 . . . . 5.36 110.899 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 69.54 168.04 0.29 Allowed 'General case' 0 C--O 1.234 0.289 0 O-C-N 124.395 0.703 . . . . 6.59 110.397 -174.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.457 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 22.5 pttm -108.84 133.39 20.69 Favored Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 109.955 -0.387 . . . . 10.72 109.955 177.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 81' ' ' LYS . 8.5 Cg_endo . . . . . 0 C--O 1.25 1.089 0 C-N-CA 123.325 2.683 . . . . 11.77 111.86 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.596 ' HA3' ' O ' ' A' ' 60' ' ' LEU . . . . . . . . 0 N--CA 1.484 1.897 0 N-CA-C 112.115 -0.394 . . . . 1.67 112.115 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -63.95 145.55 90.21 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 123.024 2.483 . . . . 0.95 113.113 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -90.43 120.93 31.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.432 -0.804 . . . . 1.13 110.762 -176.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.5 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 26.2 m-70 -118.29 127.45 53.73 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.504 -0.554 . . . . 0.55 109.504 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.591 ' HG2' ' HB2' ' A' ' 57' ' ' SER . 59.2 mtt180 -77.83 150.49 34.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.017 0.437 . . . . 2.51 111.75 176.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.415 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . . . -158.34 150.01 21.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.55 -0.75 . . . . 0.41 110.864 177.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.3 m -115.55 150.59 17.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.232 -0.44 . . . . 0.24 110.387 175.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.524 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -174.67 -175.56 42.29 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.307 -0.949 . . . . 0.28 112.379 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.4 ttp85 -115.36 130.76 56.99 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.98 -0.748 . . . . 3.19 108.98 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.702 HD11 HG21 ' A' ' 54' ' ' VAL . 49.1 mm -64.05 126.91 23.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 116.164 -0.471 . . . . 0.23 110.957 -176.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -89.02 -53.08 4.75 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.716 -0.675 . . . . 1.13 109.571 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.0 m -160.67 147.82 15.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.271 -0.422 . . . . 0.75 110.3 176.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.753 HD11 ' HA ' ' A' ' 49' ' ' LYS . 80.4 mt -97.11 131.71 43.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.064 0.459 . . . . 0.77 110.676 178.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -96.3 -149.63 25.85 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.55 -0.75 . . . . 1.06 111.631 177.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.639 ' HG2' ' HG3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -107.12 -39.24 5.77 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.198 0.523 . . . . 2.51 109.949 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.639 ' HG3' ' HG2' ' A' ' 15' ' ' GLU . 98.8 mtt180 -121.49 -2.45 9.46 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 115.53 -0.759 . . . . 3.93 110.19 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.409 ' OG ' ' HG2' ' A' ' 36' ' ' GLU . 3.5 t -155.29 -177.78 6.79 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 108.038 -1.097 . . . . 0.94 108.038 -175.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.439 ' HB3' ' HA ' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -165.28 145.99 7.19 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 120.849 0.357 . . . . 1.03 110.608 176.318 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.654 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 16.3 mt -93.32 127.59 45.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.822 -0.626 . . . . 0.56 109.745 -176.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.4 mt -126.72 121.8 59.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.021 -0.536 . . . . 0.21 110.381 -176.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.636 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -72.79 93.79 1.72 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.528 -0.545 . . . . 0.22 109.528 171.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.524 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 27.6 p80 -94.26 151.97 19.04 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.197 -0.456 . . . . 0.27 111.118 -176.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -71.12 -164.51 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.231 -0.895 . . . . 3.05 111.232 176.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.474 ' O ' ' HD3' ' A' ' 26' ' ' PRO . . . -70.66 116.44 10.98 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.467 -0.788 . . . . 1.5 110.375 176.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.559 ' HB ' ' HB2' ' A' ' 30' ' ' TRP . 58.6 mt -100.05 100.21 11.0 Favored Pre-proline 0 C--N 1.312 -1.064 0 CA-C-N 114.977 -1.01 . . . . 0.63 110.19 177.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.474 ' HD3' ' O ' ' A' ' 24' ' ' ALA . 9.7 Cg_exo -72.33 -11.32 26.62 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.762 2.308 . . . . 0.97 112.435 -178.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.5 ' CB ' ' HB3' ' A' ' 4' ' ' HIS . 1.4 m -76.21 -36.71 58.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.098 0.475 . . . . 1.1 110.876 -179.509 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -118.1 6.16 12.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.079 -0.51 . . . . 0.89 110.844 -178.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 62.84 28.44 16.41 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.542 -0.753 . . . . 2.21 111.28 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.559 ' HB2' ' HB ' ' A' ' 25' ' ' ILE . 45.2 m0 -85.11 109.01 17.95 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.22 -0.659 . . . . 1.02 109.22 178.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -90.36 69.64 2.28 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.898 -0.668 . . . . 1.67 113.033 -171.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 55.09 101.94 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.966 0.728 . . . . 0.57 112.966 174.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 19.6 ptt? -166.83 150.04 6.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.912 -0.585 . . . . 0.84 110.398 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.636 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 25.8 m -78.37 107.24 10.86 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.709 -0.678 . . . . 0.75 110.725 -177.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.6 mtp -129.01 162.78 26.84 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 116.137 -0.483 . . . . 1.6 111.477 -178.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.654 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 31.7 tt0 -96.66 147.67 23.65 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.251 -0.886 . . . . 1.0 110.531 -177.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.51 ' HB3' ' HB2' ' A' ' 68' ' ' LEU . 96.4 m-85 -131.45 114.5 15.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.384 -0.371 . . . . 0.37 110.432 -177.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.63 132.41 53.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.765 -0.652 . . . . 0.34 111.372 -177.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.72 145.95 95.26 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.149 -0.478 . . . . 0.6 111.585 -176.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -64.21 152.62 80.47 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.376 2.051 . . . . 1.1 111.005 173.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.57 -14.09 24.32 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.201 2.601 . . . . 2.05 112.924 -177.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.99 -29.58 60.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.315 -0.402 . . . . 1.33 111.122 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.6 179.77 20.42 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.969 -0.634 . . . . 0.93 112.105 -179.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.408 HD22 ' N ' ' A' ' 44' ' ' LEU . 2.5 mm? -105.8 142.31 24.52 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-O 120.842 0.353 . . . . 0.97 111.325 -178.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.681 ' HD2' HD21 ' A' ' 48' ' ' LEU . 88.3 Cg_endo -87.18 -172.14 0.86 Allowed 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 123.287 2.658 . . . . 0.69 111.425 170.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.681 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -111.0 148.79 31.79 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.111 -0.495 . . . . 2.12 109.927 175.224 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.84 10.88 11.82 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 111.42 -0.672 . . . . 0.63 111.42 -177.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.681 HD21 ' HD2' ' A' ' 45' ' ' PRO . 0.5 OUTLIER -129.65 47.97 2.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.097 0.475 . . . . 1.06 110.342 -178.833 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.753 ' HA ' HD11 ' A' ' 13' ' ' ILE . 6.8 ptpp? -95.36 170.73 9.17 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.162 -0.472 . . . . 3.0 110.648 -170.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.41 112.97 0.83 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.89 -0.596 . . . . 0.37 111.077 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 106.49 -3.08 36.89 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.658 -0.782 . . . . 0.38 112.541 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.59 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 6.5 m-20 -88.94 153.52 20.97 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 121.039 0.447 . . . . 0.53 110.479 175.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.4 ' HD2' HH11 ' A' ' 53' ' ' ARG . 2.7 tpp180 -105.86 121.63 44.45 Favored 'General case' 0 N--CA 1.437 -1.125 0 N-CA-C 108.421 -0.955 . . . . 3.26 108.421 172.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.702 HG21 HD11 ' A' ' 10' ' ' ILE . 16.5 m -125.91 151.6 32.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-O 121.075 0.464 . . . . 0.3 111.221 -177.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.72 118.08 35.59 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.443 -0.947 . . . . 0.16 108.443 175.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.669 ' HB3' HG23 ' A' ' 71' ' ' VAL . 46.1 p90 -133.23 174.58 10.23 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.405 0.621 . . . . 0.36 112.357 -170.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.591 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 5.5 t -143.09 139.77 30.6 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.344 -0.844 . . . . 1.08 108.888 173.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.51 ' HD2' HD23 ' A' ' 60' ' ' LEU . 36.4 p90 -135.46 150.84 49.93 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.093 -0.503 . . . . 0.41 110.402 -174.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.7 ' HG3' HG21 ' A' ' 69' ' ' VAL . 42.6 mtm-85 -103.9 133.96 48.0 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.801 0.334 . . . . 3.07 110.383 178.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.625 HD22 ' HA ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -109.72 130.14 55.54 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 115.694 -0.684 . . . . 1.04 110.721 179.802 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.423 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 16.0 m-20 -99.11 165.57 14.63 Favored Pre-proline 0 C--N 1.317 -0.821 0 CA-C-N 116.031 -0.531 . . . . 1.87 109.686 174.22 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.413 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 16.7 Cg_exo -68.43 -7.14 19.38 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 123.161 2.574 . . . . 1.62 111.534 -176.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -85.95 -12.48 50.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.385 -0.825 . . . . 2.43 110.463 177.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.35 18.17 39.99 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.75 -0.94 . . . . 1.08 110.75 -175.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.423 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 77.5 mtp -74.91 118.26 17.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.267 -0.466 . . . . 2.74 109.791 -179.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.625 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -105.48 98.81 8.45 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.399 -0.593 . . . . 0.54 109.399 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.57 121.28 44.74 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.636 -0.711 . . . . 0.71 110.957 -172.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.51 ' HB2' ' HB3' ' A' ' 37' ' ' PHE . 41.5 tp -74.01 131.53 41.48 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.734 -0.469 . . . . 1.18 109.734 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.7 HG21 ' HG3' ' A' ' 59' ' ' ARG . 24.7 t -103.01 -55.18 6.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.024 0.44 . . . . 1.01 110.831 -177.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.7 p -143.13 146.24 33.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.616 -0.72 . . . . 0.42 110.265 -179.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.669 HG23 ' HB3' ' A' ' 56' ' ' PHE . 12.4 p -144.29 132.37 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.941 0.4 . . . . 0.32 110.203 175.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -119.68 140.1 28.95 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 116.28 -0.418 . . . . 0.29 110.327 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.83 115.45 3.26 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.504 2.136 . . . . 0.81 111.779 178.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.542 ' HG3' ' N ' ' A' ' 75' ' ' VAL . 1.8 pt20 -112.86 177.9 4.47 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.788 -0.642 . . . . 1.08 109.732 -177.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.542 ' N ' ' HG3' ' A' ' 74' ' ' GLN . 3.7 p -155.78 88.18 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-O 121.574 0.702 . . . . 1.64 110.704 -178.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 76' ' ' GLN . 23.3 tp60 60.02 37.63 21.12 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.418 -0.81 . . . . 2.57 110.649 175.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.4 m 55.18 75.94 0.29 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.648 0.737 . . . . 3.72 110.762 -177.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -95.8 117.22 30.15 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.366 -0.834 . . . . 3.65 110.949 -178.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.03 -130.63 5.93 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.468 -0.653 . . . . 5.36 111.468 176.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -140.65 101.66 4.14 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.86 0.362 . . . . 6.59 110.129 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.461 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 34.0 ttpt -108.63 128.52 25.41 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 116.381 -0.372 . . . . 10.72 110.422 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 81' ' ' LYS . 5.9 Cg_exo . . . . . 0 C--O 1.25 1.08 0 C-N-CA 122.802 2.335 . . . . 11.77 111.652 176.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.545 0 N-CA-C 112.028 -0.429 . . . . 1.67 112.028 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.25 158.77 33.43 Favored 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 122.912 2.408 . . . . 0.95 113.234 -176.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -96.33 139.91 31.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.279 -0.873 . . . . 1.13 109.366 176.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -126.4 141.34 51.93 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.114 -0.328 . . . . 0.55 110.114 -177.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.463 ' HD3' ' HA ' ' A' ' 5' ' ' ARG . 2.5 mmt180 -85.01 128.91 34.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.121 -0.491 . . . . 2.51 110.61 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -137.73 128.23 26.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.073 0.463 . . . . 0.41 111.72 -173.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.714 HG11 ' HB2' ' A' ' 82' ' ' PRO . 27.4 m -110.43 151.75 12.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.092 -0.504 . . . . 0.24 110.473 174.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.608 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -179.06 -162.63 28.73 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.52 -0.847 . . . . 0.28 112.425 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.5 ttp-105 -125.28 133.71 52.55 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.446 -0.575 . . . . 3.19 109.446 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.617 HD11 HG21 ' A' ' 54' ' ' VAL . 41.8 mm -64.98 123.91 18.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.803 0.335 . . . . 0.23 110.412 -177.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -88.21 -53.92 4.46 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.844 -0.616 . . . . 1.13 109.456 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.7 m -159.82 158.73 31.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.767 -0.651 . . . . 0.75 109.249 175.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.864 HD11 ' HA ' ' A' ' 49' ' ' LYS . 69.2 mt -110.95 144.09 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.401 0.62 . . . . 0.77 111.833 -175.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.71 ' H ' ' HB3' ' A' ' 18' ' ' LEU . . . -131.99 160.37 23.57 Favored Glycine 0 N--CA 1.44 -1.05 0 N-CA-C 110.427 -1.069 . . . . 1.06 110.427 171.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -60.74 -42.88 98.23 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 111.833 0.308 . . . . 2.51 111.833 -176.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.84 -4.63 8.6 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.457 -0.497 . . . . 3.93 112.086 -175.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.41 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 10.5 p -157.71 146.26 19.27 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.727 -0.472 . . . . 0.94 109.727 172.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.71 ' HB3' ' H ' ' A' ' 14' ' ' GLY . 1.1 pp -145.41 152.01 39.16 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-O 120.954 0.407 . . . . 1.03 111.207 -178.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.568 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 9.4 mt -98.06 129.54 48.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.689 -0.687 . . . . 0.56 110.289 -174.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 82.1 mt -127.61 123.14 60.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.01 -0.541 . . . . 0.21 110.29 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.54 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -71.73 90.9 1.09 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.042 -0.725 . . . . 0.22 109.042 171.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.608 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 28.6 p80 -93.29 150.32 20.57 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.021 -0.536 . . . . 0.27 110.242 -177.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.442 ' O ' HG13 ' A' ' 25' ' ' ILE . 58.8 mt-10 -79.1 -160.34 0.23 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.774 -0.648 . . . . 3.05 110.614 178.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.461 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -54.12 -46.28 72.14 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.933 0.716 . . . . 1.5 112.933 -173.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 23' ' ' GLU . 44.0 mt 70.17 88.63 0.1 OUTLIER Pre-proline 0 C--N 1.317 -0.812 0 CA-C-O 121.026 0.441 . . . . 0.63 110.492 -176.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.49 -31.15 71.87 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.481 2.12 . . . . 0.97 111.774 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 m -68.48 -18.53 64.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.754 -0.657 . . . . 1.1 111.997 -176.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.01 -6.33 10.49 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.011 -0.276 . . . . 0.89 111.525 -177.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 63.01 35.69 12.98 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.998 -0.546 . . . . 2.21 110.709 -178.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.452 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 45.2 m0 -90.76 173.85 7.79 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.647 -0.501 . . . . 1.02 109.647 178.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.99 44.5 1.23 Allowed Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.187 -1.006 . . . . 1.67 113.879 -177.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.461 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 66.13 120.78 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.165 0.802 . . . . 0.57 113.165 174.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 14.6 ptt? -171.66 145.27 1.97 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.046 -0.525 . . . . 0.84 110.931 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.54 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 13.8 m -75.33 106.48 6.89 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.042 -0.526 . . . . 0.75 110.175 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 85.3 mtp -125.95 165.03 19.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.202 0.525 . . . . 1.6 112.18 -176.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.568 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 88.1 tt0 -104.59 138.58 40.72 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.962 -1.017 . . . . 1.0 110.252 -178.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -119.33 136.47 54.24 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.357 -0.383 . . . . 0.37 110.107 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.29 135.74 36.83 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.229 -0.441 . . . . 0.34 110.21 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.43 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . . . -95.13 143.41 26.06 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.331 -0.395 . . . . 0.6 110.589 -178.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 39' ' ' ALA . 24.2 Cg_exo -63.73 152.58 79.87 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.621 2.214 . . . . 1.1 110.808 173.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -62.98 -1.03 2.45 Favored 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 123.062 2.508 . . . . 2.05 113.399 -177.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.38 -21.59 38.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.928 0.394 . . . . 1.33 110.595 176.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.84 171.65 37.32 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 121.035 -0.603 . . . . 0.93 112.504 178.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.535 ' HG ' HD21 ' A' ' 18' ' ' LEU . 2.8 mm? -92.79 145.62 30.62 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-O 121.018 0.437 . . . . 0.97 111.379 -176.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.591 ' HD2' HD21 ' A' ' 48' ' ' LEU . 45.0 Cg_endo -74.91 -166.6 0.35 Allowed 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.866 2.378 . . . . 0.69 112.245 174.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -102.36 154.28 19.22 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.712 -0.676 . . . . 2.12 109.683 178.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.99 9.68 48.09 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.564 -0.827 . . . . 0.63 113.195 176.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.63 HD23 HG11 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -124.96 50.82 1.71 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.726 0.298 . . . . 1.06 111.762 -177.68 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.864 ' HA ' HD11 ' A' ' 13' ' ' ILE . 71.1 mmtt -94.21 158.79 15.43 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.337 -0.246 . . . . 3.0 110.337 -175.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.25 110.2 0.25 Allowed 'General case' 0 C--O 1.232 0.175 0 O-C-N 123.465 0.478 . . . . 0.37 111.044 177.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.76 -18.59 12.82 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.762 -0.732 . . . . 0.38 112.876 -178.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -81.24 158.58 24.79 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.424 0.63 . . . . 0.53 111.508 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -110.47 120.81 43.62 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.237 -0.892 . . . . 3.26 108.746 174.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.617 HG21 HD11 ' A' ' 10' ' ' ILE . 15.7 m -129.58 156.86 42.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.806 0.336 . . . . 0.3 110.79 -175.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.545 ' HB2' ' HG3' ' A' ' 74' ' ' GLN . . . -112.24 112.17 23.57 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.23 -0.655 . . . . 0.16 109.23 176.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.46 ' HB3' HG23 ' A' ' 71' ' ' VAL . 10.9 p90 -125.7 174.05 8.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.808 0.813 . . . . 0.36 112.147 -173.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.1 p -128.65 145.49 51.14 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 114.724 -1.125 . . . . 1.08 108.671 173.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -131.57 141.4 49.68 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.082 0.468 . . . . 0.41 110.238 177.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -110.78 134.26 52.65 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.854 -0.612 . . . . 3.07 109.453 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.98 118.79 29.8 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.987 0.422 . . . . 1.04 109.882 178.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.49 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 15.0 m-20 -89.74 167.48 17.25 Favored Pre-proline 0 C--N 1.314 -0.935 0 CA-C-N 115.795 -0.639 . . . . 1.87 109.279 178.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.49 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 20.4 Cg_exo -65.5 1.78 1.94 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.379 2.719 . . . . 1.62 113.172 -171.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -94.54 -18.98 20.92 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.266 0.555 . . . . 2.43 110.002 177.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.19 15.66 47.07 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 110.872 -0.891 . . . . 1.08 110.872 -177.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.4 mmt -88.26 152.96 21.59 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.173 -0.514 . . . . 2.74 110.096 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -107.19 97.75 7.48 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.85 -0.796 . . . . 0.54 108.85 -177.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.3 m -97.15 122.6 40.34 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.36 -0.836 . . . . 0.71 110.717 -173.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.454 HD21 ' HB2' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -70.33 128.0 34.72 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.619 -0.719 . . . . 1.18 109.559 -177.767 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.0 t -100.26 -66.14 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.056 0.455 . . . . 1.01 111.023 -173.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.3 p -138.07 143.15 40.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.924 -0.58 . . . . 0.42 109.715 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.63 HG11 HD23 ' A' ' 48' ' ' LEU . 13.1 p -133.51 123.26 45.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.371 0.605 . . . . 0.32 110.136 178.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.99 137.67 20.56 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-N 115.907 -0.588 . . . . 0.29 110.033 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -52.4 106.27 0.14 Allowed 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.775 2.317 . . . . 0.81 112.823 176.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.545 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 1.1 tt0 -86.9 174.51 8.69 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 115.393 -0.822 . . . . 1.08 110.106 176.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.3 p -160.05 79.94 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -1.025 0 CA-C-N 115.07 -0.968 . . . . 1.64 110.014 172.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 71.5 -97.73 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 114.328 -1.305 . . . . 2.57 112.628 171.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.6 t -101.48 -12.56 18.44 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 115.313 -0.858 . . . . 3.72 111.163 -176.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 57.46 -150.97 0.43 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.47 -0.786 . . . . 3.65 110.091 -175.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.62 -36.78 58.33 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.355 -0.926 . . . . 5.36 111.451 174.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -173.76 -51.41 0.01 OUTLIER 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.203 0.525 . . . . 6.59 109.695 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 5.4 tppp? -108.61 121.15 44.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.741 -0.663 . . . . 10.72 110.55 178.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.714 ' HB2' HG11 ' A' ' 7' ' ' VAL . 5.1 Cg_exo . . . . . 0 C--O 1.252 1.218 0 C-N-CA 123.039 2.493 . . . . 11.77 111.297 172.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.64 0 N-CA-C 111.995 -0.442 . . . . 1.67 111.995 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -63.79 125.45 15.44 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.838 2.359 . . . . 0.95 112.041 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -101.56 125.13 48.16 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.287 -0.869 . . . . 1.13 110.228 -176.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -129.28 139.35 51.83 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.557 -0.905 . . . . 0.55 108.557 178.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.748 ' HA ' ' HA ' ' A' ' 57' ' ' SER . 17.7 ptp180 -99.72 160.64 14.15 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.272 -0.571 . . . . 2.51 110.645 178.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -159.69 148.99 18.01 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.36 -0.836 . . . . 0.41 110.39 -178.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.627 ' HB ' HE22 ' A' ' 74' ' ' GLN . 28.8 m -106.76 141.27 22.38 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 115.78 -0.645 . . . . 0.24 109.823 172.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.601 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -163.28 176.34 39.48 Favored Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.117 -1.04 . . . . 0.28 112.576 -177.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 52' ' ' ASP . 59.3 ttt180 -110.97 127.5 55.53 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.726 -0.472 . . . . 3.19 109.726 -178.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.427 HD11 HG21 ' A' ' 54' ' ' VAL . 43.0 mm -63.1 129.83 27.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.911 -0.586 . . . . 0.23 110.72 -177.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.449 ' NE2' ' HB2' ' A' ' 21' ' ' ALA . 2.2 tp-100 -92.08 -51.19 5.31 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 109.164 -0.68 . . . . 1.13 109.164 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.7 m -160.0 153.08 21.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.763 -0.653 . . . . 0.75 110.052 175.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.894 HD11 ' HA ' ' A' ' 49' ' ' LYS . 76.4 mt -100.63 144.89 12.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 123.3 0.375 . . . . 0.77 110.458 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.432 ' HA3' ' O ' ' A' ' 17' ' ' SER . . . -121.91 -157.35 9.98 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 121.023 -0.608 . . . . 1.06 112.364 178.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.831 ' HG3' ' HG2' ' A' ' 16' ' ' ARG . 8.7 pt-20 -89.73 -39.88 12.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.627 0.727 . . . . 2.51 110.45 -175.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.831 ' HG2' ' HG3' ' A' ' 15' ' ' GLU . 9.0 ptp180 -145.81 7.67 1.09 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.689 -1.141 . . . . 3.93 109.271 -177.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.432 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 2.4 p -155.68 146.85 22.53 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 114.766 -1.106 . . . . 0.94 108.942 -177.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.405 ' HB3' ' HA ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -150.83 152.44 33.75 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-O 121.098 0.475 . . . . 1.03 110.607 179.732 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.834 HG22 HG22 ' A' ' 34' ' ' THR . 6.7 mt -100.92 130.23 50.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.516 -0.766 . . . . 0.56 109.833 -172.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 69.4 mt -129.7 125.12 60.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.944 0.402 . . . . 0.21 111.309 -176.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.653 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -79.22 90.72 4.93 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.319 -0.623 . . . . 0.22 109.319 171.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.601 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 26.7 p80 -85.1 155.89 21.3 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.214 -0.448 . . . . 0.27 110.474 -178.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -70.45 -171.2 0.46 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.696 -0.684 . . . . 3.05 110.577 174.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.622 ' O ' ' HD3' ' A' ' 26' ' ' PRO . . . -69.03 117.77 11.09 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.547 -0.751 . . . . 1.5 109.057 172.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.426 ' HB ' ' HB2' ' A' ' 30' ' ' TRP . 41.9 mt -95.52 102.62 10.36 Favored Pre-proline 0 C--N 1.315 -0.931 0 CA-C-N 115.65 -0.705 . . . . 0.63 110.565 -176.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.622 ' HD3' ' O ' ' A' ' 24' ' ' ALA . 35.8 Cg_exo -63.18 -36.37 58.19 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.469 2.113 . . . . 0.97 111.423 178.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.1 m -58.7 -31.54 68.33 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.846 -0.615 . . . . 1.1 111.97 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -114.81 3.07 14.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.699 0.285 . . . . 0.89 111.17 -178.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.582 HE21 ' N ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER 57.47 28.56 15.66 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.829 -0.623 . . . . 2.21 111.27 -175.128 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.426 ' HB2' ' HB ' ' A' ' 25' ' ' ILE . 36.2 m0 -90.34 156.42 18.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.122 0.487 . . . . 1.02 111.002 179.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -92.85 -174.97 41.25 Favored Glycine 0 N--CA 1.438 -1.229 0 C-N-CA 120.521 -0.847 . . . . 1.67 111.37 172.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.25 116.48 21.15 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 110.013 -0.366 . . . . 0.57 110.013 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 5.3 ptt? -164.35 158.5 18.72 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.073 -0.512 . . . . 0.84 110.696 -177.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.834 HG22 HG22 ' A' ' 19' ' ' ILE . 16.7 m -88.44 103.34 15.76 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.5 -0.773 . . . . 0.75 110.778 -176.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.3 tpp -108.55 149.73 28.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.679 -0.691 . . . . 1.6 111.022 -176.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -88.88 128.44 35.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.116 177.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -117.76 136.43 53.39 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.334 -0.393 . . . . 0.37 110.076 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -93.76 140.25 29.87 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.257 -0.429 . . . . 0.34 110.023 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.404 ' HB2' HD11 ' A' ' 44' ' ' LEU . . . -94.05 150.99 39.33 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 123.196 0.31 . . . . 0.6 110.99 -178.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.481 ' HD3' ' O ' ' A' ' 68' ' ' LEU . 33.1 Cg_endo -65.12 159.33 47.31 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.488 2.125 . . . . 1.1 111.231 175.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 40' ' ' PRO . 35.5 Cg_exo -57.84 -15.0 19.85 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.992 2.461 . . . . 2.05 112.456 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.29 -41.25 96.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.917 -0.583 . . . . 1.33 111.241 177.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.81 167.47 21.63 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.8 -0.714 . . . . 0.93 112.279 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.404 HD11 ' HB2' ' A' ' 39' ' ' ALA . 3.2 mm? -88.4 141.62 30.75 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 121.137 0.494 . . . . 0.97 112.091 -174.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.494 ' HD2' HD21 ' A' ' 48' ' ' LEU . 54.7 Cg_endo -82.52 -166.08 0.37 Allowed 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 123.327 2.685 . . . . 0.69 111.753 171.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.657 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 1.0 OUTLIER -111.39 164.26 13.12 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.33 -0.85 . . . . 2.12 109.893 178.711 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.03 21.99 34.17 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.173 -0.537 . . . . 0.63 112.036 -178.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.678 HD23 HG11 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -136.94 49.48 2.04 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.718 0.294 . . . . 1.06 111.774 -178.904 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.894 ' HA ' HD11 ' A' ' 13' ' ' ILE . 9.7 ptpp? -94.79 161.69 14.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.191 -0.318 . . . . 3.0 110.525 -172.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.3 106.2 0.08 Allowed 'General case' 0 C--O 1.235 0.334 0 O-C-N 123.625 0.578 . . . . 0.37 111.303 177.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.76 -26.27 5.69 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.831 -0.699 . . . . 0.38 112.551 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.462 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 24.9 m-20 -70.39 148.23 48.62 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 120.952 0.406 . . . . 0.53 110.788 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.429 ' HD3' ' HA ' ' A' ' 76' ' ' GLN . 27.1 ttt180 -112.12 95.86 5.7 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.307 -0.997 . . . . 3.26 108.307 174.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.558 HG12 ' HA ' ' A' ' 73' ' ' PRO . 10.5 m -102.58 150.28 6.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.068 -0.515 . . . . 0.3 111.062 -169.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.96 120.82 38.02 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.778 -0.647 . . . . 0.16 109.258 173.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.844 ' HB3' HG23 ' A' ' 71' ' ' VAL . 37.3 p90 -139.75 167.45 22.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.28 0.562 . . . . 0.36 112.046 -173.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.748 ' HA ' ' HA ' ' A' ' 5' ' ' ARG . 35.5 p -132.55 139.12 47.72 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.519 -0.764 . . . . 1.08 109.51 175.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -134.11 161.48 34.74 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.895 0.378 . . . . 0.41 110.546 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.491 ' HG3' HG21 ' A' ' 69' ' ' VAL . 83.6 mtt180 -116.57 139.33 50.62 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.245 -0.434 . . . . 3.07 110.417 177.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.4 mt -100.15 141.49 32.9 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.722 -0.672 . . . . 1.04 110.762 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.533 ' OD2' ' HB2' ' A' ' 65' ' ' MET . 4.2 p30 -102.18 164.4 15.83 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 115.93 -0.577 . . . . 1.87 109.763 172.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.98 -0.96 3.68 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.984 2.456 . . . . 1.62 113.216 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -95.96 -19.23 19.66 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.72 -0.844 . . . . 2.43 108.72 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.26 23.71 10.21 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 114.457 -1.247 . . . . 1.08 111.911 176.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.533 ' HB2' ' OD2' ' A' ' 61' ' ' ASP . 31.6 mtp -100.24 152.55 20.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.153 0.501 . . . . 2.74 110.037 -179.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.03 109.53 18.21 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.441 -0.799 . . . . 0.54 110.226 -172.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.17 120.28 41.9 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 116.052 -0.522 . . . . 0.71 110.558 -177.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.492 HD11 ' HB2' ' A' ' 56' ' ' PHE . 42.4 tp -71.63 134.65 46.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.792 -0.64 . . . . 1.18 110.347 -177.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.491 HG21 ' HG3' ' A' ' 59' ' ' ARG . 21.8 t -103.49 -56.93 4.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.342 -0.39 . . . . 1.01 110.477 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.5 p -143.0 142.6 31.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 0.42 110.567 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.844 HG23 ' HB3' ' A' ' 56' ' ' PHE . 8.7 p -132.59 142.27 42.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.374 -0.602 . . . . 0.32 109.374 176.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -130.97 139.52 35.85 Favored Pre-proline 0 C--N 1.316 -0.886 0 N-CA-C 109.856 -0.424 . . . . 0.29 109.856 176.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.558 ' HA ' HG12 ' A' ' 54' ' ' VAL . 26.2 Cg_endo -64.17 104.63 0.51 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.024 1.816 . . . . 0.81 112.145 -179.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.627 HE22 ' HB ' ' A' ' 7' ' ' VAL . 1.5 tt0 -93.82 170.05 9.85 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 108.746 -0.835 . . . . 1.08 108.746 175.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.569 ' O ' ' HG3' ' A' ' 76' ' ' GLN . 2.4 p -132.45 80.06 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 CA-C-O 121.824 0.821 . . . . 1.64 110.673 -177.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.569 ' HG3' ' O ' ' A' ' 75' ' ' VAL . 5.1 pp0? 60.76 -27.83 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.529 1.932 . . . . 2.57 115.629 173.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.4 t -143.87 -2.34 0.93 Allowed 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 120.972 0.415 . . . . 3.72 110.266 175.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 72.85 148.96 0.09 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.116 -0.947 . . . . 3.65 111.333 -177.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.81 -143.87 16.96 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.692 -0.766 . . . . 5.36 111.477 -178.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 58.88 -162.57 0.23 Allowed 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 122.478 0.311 . . . . 6.59 111.097 178.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.449 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 68.5 mttm -110.11 135.5 20.53 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 110.229 -0.286 . . . . 10.72 110.229 174.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 81' ' ' LYS . 26.5 Cg_exo . . . . . 0 C--O 1.248 1.001 0 C-N-CA 123.039 2.493 . . . . 11.77 111.701 176.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.42 ' HA2' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.479 1.532 0 N-CA-C 111.749 -0.541 . . . . 1.67 111.749 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.42 ' HD2' ' HA2' ' A' ' 1' ' ' GLY . 33.8 Cg_endo -63.07 137.67 63.18 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.673 2.249 . . . . 0.95 112.287 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -90.79 132.78 35.66 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.788 -0.642 . . . . 1.13 110.158 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.431 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 87.9 m-70 -126.1 147.11 49.67 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.681 -0.489 . . . . 0.55 109.681 178.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.578 HH11 ' HB3' ' A' ' 57' ' ' SER . 26.1 mmt180 -81.05 141.31 34.48 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.764 -0.458 . . . . 2.51 109.764 177.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.435 ' HB2' ' HE2' ' A' ' 58' ' ' PHE . . . -144.14 137.46 27.49 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 120.918 0.39 . . . . 0.41 111.149 179.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.0 m -119.0 151.02 21.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.265 -0.425 . . . . 0.24 110.142 173.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.599 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 174.01 -168.05 40.73 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.673 -0.775 . . . . 0.28 112.418 178.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 9' ' ' ARG . 13.8 ttp180 -115.91 137.4 52.14 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.645 -0.502 . . . . 3.19 109.645 -178.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.62 HD11 HG21 ' A' ' 54' ' ' VAL . 37.2 mm -68.0 124.69 24.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 116.307 -0.406 . . . . 0.23 110.241 179.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -85.25 -49.43 8.19 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.858 -0.61 . . . . 1.13 109.492 178.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.2 m -159.5 160.7 34.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.567 -0.742 . . . . 0.75 110.347 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.573 HD11 ' HA ' ' A' ' 49' ' ' LYS . 61.0 mt -107.95 130.79 59.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.474 -0.565 . . . . 0.77 109.474 173.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.74 -164.4 24.24 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 121.14 -0.552 . . . . 1.06 112.515 -177.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -83.13 -37.93 23.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.923 0.392 . . . . 2.51 111.151 -175.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -134.87 11.9 3.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.383 0.611 . . . . 3.93 110.504 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.604 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 3.6 p -158.09 172.94 17.51 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.242 -0.89 . . . . 0.94 109.007 -177.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.56 HD22 HG23 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -136.61 136.06 38.87 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.92 -0.77 . . . . 1.03 108.92 170.304 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.551 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 31.4 mt -84.98 122.18 37.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 N-CA-C 109.071 -0.714 . . . . 0.56 109.071 177.103 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 60.1 mt -123.34 121.19 62.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.087 -0.506 . . . . 0.21 110.786 -174.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.446 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -73.52 91.8 1.84 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.351 -0.611 . . . . 0.22 109.351 170.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.599 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 23.1 p80 -89.9 157.5 17.85 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.079 -0.509 . . . . 0.27 110.705 -176.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.426 ' O ' HG12 ' A' ' 25' ' ' ILE . 12.8 mm-40 -61.88 -169.81 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.296 -0.866 . . . . 3.05 111.559 174.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.585 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -55.63 -48.16 75.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 1.5 111.343 -178.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.53 ' HB ' ' HB2' ' A' ' 30' ' ' TRP . 41.7 mm 76.9 86.74 0.08 OUTLIER Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 123.782 0.676 . . . . 0.63 110.599 -178.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -75.58 -18.96 17.11 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 122.588 2.192 . . . . 0.97 111.873 178.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.431 ' HB2' ' HB3' ' A' ' 4' ' ' HIS . 9.0 p -71.94 -22.93 61.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.856 -0.611 . . . . 1.1 111.266 -178.137 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.16 4.72 9.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.565 -0.289 . . . . 0.89 111.196 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 55.77 49.72 15.63 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.976 -0.557 . . . . 2.21 111.374 -177.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.53 ' HB2' ' HB ' ' A' ' 25' ' ' ILE . 45.1 m0 -100.06 172.13 7.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.684 -0.689 . . . . 1.02 109.309 174.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.29 46.8 1.06 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.261 -0.971 . . . . 1.67 112.942 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.585 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 65.17 120.15 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.209 0.528 . . . . 0.57 112.307 175.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 19.1 ptt? -170.78 155.88 4.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.062 -0.517 . . . . 0.84 110.835 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.454 HG22 HG22 ' A' ' 19' ' ' ILE . 19.1 m -88.06 104.77 16.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.732 -0.667 . . . . 0.75 110.0 -177.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 73.6 mtp -115.83 164.2 14.73 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.69 -0.686 . . . . 1.6 111.944 -175.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.551 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 44.8 tt0 -102.75 122.75 45.11 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.066 -0.97 . . . . 1.0 109.872 178.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -105.27 121.24 43.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.302 -0.408 . . . . 0.37 110.301 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.604 ' HA ' ' HB3' ' A' ' 17' ' ' SER . . . -70.69 142.73 51.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.81 -0.632 . . . . 0.34 110.577 -176.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.91 139.97 97.95 Favored Pre-proline 0 C--O 1.235 0.309 0 CA-C-N 116.275 -0.42 . . . . 0.6 111.552 -178.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.453 ' HD2' HD13 ' A' ' 44' ' ' LEU . 36.3 Cg_endo -67.47 160.09 49.48 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.501 2.134 . . . . 1.1 111.469 174.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.93 -3.62 8.62 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.777 2.318 . . . . 2.05 112.976 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -105.41 3.37 29.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.506 -0.315 . . . . 1.33 111.153 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.46 169.59 45.81 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.645 -0.788 . . . . 0.93 112.238 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.558 ' HG ' HD21 ' A' ' 18' ' ' LEU . 2.7 mm? -86.5 141.61 34.47 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-O 120.991 0.424 . . . . 0.97 111.033 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.427 ' HD2' HD21 ' A' ' 48' ' ' LEU . 44.1 Cg_endo -80.64 -169.15 0.73 Allowed 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 123.063 2.508 . . . . 0.69 111.435 169.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.609 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 0.8 OUTLIER -111.47 148.96 32.01 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.605 -0.725 . . . . 2.12 110.464 -177.877 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.08 21.43 10.96 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.943 -0.572 . . . . 0.63 112.275 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.692 HD23 HG11 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -127.61 49.41 2.13 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.767 0.318 . . . . 1.06 111.814 -177.854 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.573 ' HA ' HD11 ' A' ' 13' ' ' ILE . 66.7 mttt -95.29 161.52 14.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.977 0.418 . . . . 3.0 111.738 -177.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.97 110.47 0.36 Allowed 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 115.42 -0.809 . . . . 0.37 110.872 175.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.51 -14.34 20.43 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.53 -0.843 . . . . 0.38 112.708 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -84.61 148.2 26.58 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 117.16 0.48 . . . . 0.53 110.4 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.534 ' HD2' ' HB3' ' A' ' 76' ' ' GLN . 22.5 ttm105 -103.45 121.85 43.68 Favored 'General case' 0 N--CA 1.439 -1.017 0 N-CA-C 108.79 -0.819 . . . . 3.26 108.79 173.276 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.62 HG21 HD11 ' A' ' 10' ' ' ILE . 16.3 m -126.9 154.18 36.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.101 0.477 . . . . 0.3 111.613 -173.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.477 ' HB2' HE21 ' A' ' 74' ' ' GLN . . . -109.72 115.87 30.66 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.771 -0.825 . . . . 0.16 108.771 175.114 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.789 ' HB3' HG23 ' A' ' 71' ' ' VAL . 11.2 p90 -134.93 -177.94 4.86 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.419 0.526 . . . . 0.36 112.419 -168.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.578 ' HB3' HH11 ' A' ' 5' ' ' ARG . 86.6 p -143.99 153.96 42.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.642 -0.708 . . . . 1.08 109.806 175.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.457 ' HA ' HG23 ' A' ' 69' ' ' VAL . 54.1 p90 -141.1 154.35 45.88 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.431 -0.349 . . . . 0.41 110.854 -178.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.505 ' HG3' ' CG2' ' A' ' 69' ' ' VAL . 47.5 mtm180 -106.05 138.15 42.73 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.393 -0.595 . . . . 3.07 109.393 172.196 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.445 HD11 ' CZ2' ' A' ' 30' ' ' TRP . 14.8 mt -108.33 122.48 47.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.942 0.401 . . . . 1.04 111.906 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.458 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 33.8 m-20 -83.95 166.78 31.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 108.731 -0.841 . . . . 1.87 108.731 172.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.458 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 16.3 Cg_exo -68.12 -8.94 24.24 Favored 'Trans proline' 0 N--CA 1.464 -0.213 0 C-N-CA 122.77 2.313 . . . . 1.62 112.493 -174.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -90.52 -11.16 41.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.143 -0.48 . . . . 2.43 110.825 179.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.22 24.68 21.43 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.818 -0.706 . . . . 1.08 111.467 -176.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.521 ' HA ' ' CE ' ' A' ' 65' ' ' MET . 8.6 mmt -84.54 131.42 34.63 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 109.637 -0.505 . . . . 2.74 109.637 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -113.9 103.86 11.59 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.727 -0.472 . . . . 0.54 109.727 -174.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.86 126.96 52.47 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 116.122 -0.49 . . . . 0.71 110.138 -176.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.411 ' HB3' ' HD3' ' A' ' 40' ' ' PRO . 36.5 tp -70.09 124.7 24.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.585 -0.734 . . . . 1.18 110.472 -176.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.505 ' CG2' ' HG3' ' A' ' 59' ' ' ARG . 22.0 t -96.45 -55.41 6.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.179 0.514 . . . . 1.01 110.332 -178.003 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.2 p -142.11 158.93 43.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.507 -0.77 . . . . 0.42 109.388 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.789 HG23 ' HB3' ' A' ' 56' ' ' PHE . 9.8 p -156.52 129.52 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.136 0.493 . . . . 0.32 110.155 176.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -125.94 130.71 23.93 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.18 -0.464 . . . . 0.29 110.229 178.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.572 ' HA ' HG12 ' A' ' 54' ' ' VAL . 50.4 Cg_exo -53.77 122.6 11.62 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.74 2.293 . . . . 0.81 111.635 176.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.779 ' HG3' ' H ' ' A' ' 76' ' ' GLN . 0.4 OUTLIER -112.86 176.54 4.97 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.418 -0.586 . . . . 1.08 109.418 -179.292 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.503 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 24.5 m -130.09 30.71 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 CA-C-N 115.948 -0.569 . . . . 1.64 111.024 -175.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.779 ' H ' ' HG3' ' A' ' 74' ' ' GLN . 9.4 pt20 54.81 152.88 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.634 1.174 . . . . 2.57 112.784 -172.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.8 m 51.8 27.32 4.1 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.267 -0.879 . . . . 3.72 111.887 174.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.8 -30.41 26.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.221 -0.445 . . . . 3.65 111.256 -176.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.14 -61.58 4.57 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.759 -0.734 . . . . 5.36 112.02 -178.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -162.05 176.88 10.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.748 0.309 . . . . 6.59 110.268 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -102.82 107.8 55.97 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.159 -0.473 . . . . 10.72 109.898 176.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo . . . . . 0 C--O 1.249 1.073 0 C-N-CA 123.047 2.498 . . . . 11.77 112.036 178.247 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.68 ' HA3' ' O ' ' A' ' 60' ' ' LEU . . . . . . . . 0 N--CA 1.483 1.829 0 N-CA-C 112.054 -0.418 . . . . 1.67 112.054 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.85 150.0 48.75 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.776 2.318 . . . . 0.95 112.569 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -85.43 133.85 34.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.975 -0.557 . . . . 1.13 110.802 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.43 ' HB3' ' CB ' ' A' ' 27' ' ' SER . 59.5 m-70 -127.67 142.74 51.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.214 -1.032 . . . . 0.55 108.214 174.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.473 ' HG2' ' HB3' ' A' ' 57' ' ' SER . 51.2 mtt180 -95.14 147.62 23.25 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.677 -0.409 . . . . 2.51 110.94 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -152.92 145.93 24.57 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.895 -0.593 . . . . 0.41 111.139 -179.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.6 m -114.56 149.42 16.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 115.533 -0.758 . . . . 0.24 109.929 172.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.423 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -172.53 -178.7 42.84 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.091 -1.052 . . . . 0.28 112.776 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -112.28 130.41 55.95 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.69 -0.485 . . . . 3.19 109.69 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.52 HD11 HG21 ' A' ' 54' ' ' VAL . 31.5 mm -65.92 136.95 25.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.237 -0.438 . . . . 0.23 111.679 -175.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.746 HE21 ' HB2' ' A' ' 21' ' ' ALA . 84.5 mm-40 -97.8 -48.82 5.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.033 -0.531 . . . . 1.13 110.11 175.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.8 m -161.76 146.26 12.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.906 -0.588 . . . . 0.75 110.442 -178.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.543 HD11 ' HA ' ' A' ' 49' ' ' LYS . 64.0 mt -98.07 143.29 13.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.488 -0.324 . . . . 0.77 110.569 176.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.591 ' H ' ' HB3' ' A' ' 18' ' ' LEU . . . -129.63 169.52 20.77 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.837 -0.619 . . . . 1.06 111.651 176.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -65.21 -44.7 87.48 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.284 0.475 . . . . 2.51 112.284 -175.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.515 ' HD3' ' H ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -120.26 -9.75 9.47 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.946 0.403 . . . . 3.93 110.986 -176.767 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.404 ' O ' ' HA3' ' A' ' 14' ' ' GLY . 12.8 p -157.32 152.3 25.82 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.928 -0.578 . . . . 0.94 109.725 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.591 ' HB3' ' H ' ' A' ' 14' ' ' GLY . 0.4 OUTLIER -145.76 150.05 35.51 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 120.982 0.42 . . . . 1.03 111.633 -176.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.592 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 61.2 mt -93.78 125.54 46.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.609 -0.723 . . . . 0.56 111.24 -173.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 71.9 mt -126.17 128.09 71.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.829 -0.623 . . . . 0.21 110.358 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.746 ' HB2' HE21 ' A' ' 11' ' ' GLN . . . -80.33 90.64 5.58 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.08 -0.711 . . . . 0.22 109.08 174.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.423 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 29.0 p80 -86.23 153.01 22.32 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.449 -0.796 . . . . 0.27 110.141 -178.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -70.13 -164.97 0.08 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.907 -0.588 . . . . 3.05 110.545 176.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.561 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -52.22 -56.29 15.65 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.531 0.567 . . . . 1.5 112.531 -174.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.411 HG22 ' H ' ' A' ' 28' ' ' ALA . 24.9 mt 74.01 92.45 0.05 OUTLIER Pre-proline 0 C--N 1.322 -0.63 0 O-C-N 123.797 0.686 . . . . 0.63 110.93 -176.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -71.42 -17.8 30.21 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.384 2.056 . . . . 0.97 111.922 178.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.43 ' CB ' ' HB3' ' A' ' 4' ' ' HIS . 20.4 m -75.54 -23.3 56.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.778 -0.646 . . . . 1.1 111.718 -177.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.411 ' H ' HG22 ' A' ' 25' ' ' ILE . . . -114.22 -2.68 13.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.422 -0.353 . . . . 0.89 110.868 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 61.88 37.17 15.49 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.584 -0.734 . . . . 2.21 110.775 -178.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 45.7 m0 -95.63 172.85 7.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.077 -0.51 . . . . 1.02 110.155 177.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -125.15 32.94 3.81 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.598 -0.81 . . . . 1.67 112.614 -177.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.561 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 73.86 123.61 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.44 0.696 . . . . 0.57 111.474 -178.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -169.69 151.71 4.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.013 -0.54 . . . . 0.84 110.649 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.558 HG23 ' HG3' ' A' ' 11' ' ' GLN . 79.7 m -80.49 104.97 11.39 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.56 -0.745 . . . . 0.75 110.557 -179.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.4 tpp -130.47 158.26 40.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.129 -0.487 . . . . 1.6 110.597 -177.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.592 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 36.7 tt0 -96.84 140.82 30.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.487 -178.15 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.528 ' HB3' ' HB2' ' A' ' 68' ' ' LEU . 94.9 m-85 -114.77 148.19 38.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.033 -0.531 . . . . 0.37 110.075 179.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.05 135.09 35.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.283 -0.417 . . . . 0.34 110.68 -175.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.38 143.74 76.82 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.131 -0.486 . . . . 0.6 111.615 -177.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -81.02 168.4 17.24 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 122.787 2.324 . . . . 1.1 111.422 175.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -61.42 -11.79 21.23 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.806 2.337 . . . . 2.05 112.438 178.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.87 -19.85 59.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.004 -0.544 . . . . 1.33 111.141 178.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.99 174.63 49.13 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 120.856 -0.688 . . . . 0.93 111.777 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.448 ' HG ' HD21 ' A' ' 18' ' ' LEU . 2.3 mm? -98.17 134.34 22.14 Favored Pre-proline 0 C--N 1.318 -0.798 0 CA-C-O 120.744 0.307 . . . . 0.97 110.739 179.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.418 ' HD2' HD21 ' A' ' 48' ' ' LEU . 43.5 Cg_endo -77.91 -167.27 0.47 Allowed 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 122.952 2.434 . . . . 0.69 111.662 173.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.641 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -116.74 156.63 26.84 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.709 -0.678 . . . . 2.12 109.693 178.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.41 20.27 18.13 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.006 -0.616 . . . . 0.63 111.576 -177.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.629 ' HB3' HG11 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -139.97 45.09 1.9 Allowed 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 111.982 0.364 . . . . 1.06 111.982 -176.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.543 ' HA ' HD11 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -96.14 171.33 8.67 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.809 -0.357 . . . . 3.0 110.668 -177.577 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.22 113.69 0.47 Allowed 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.795 0.685 . . . . 0.37 112.229 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.32 -17.3 26.49 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.865 -0.683 . . . . 0.38 113.35 177.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -82.87 153.29 25.2 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 117.379 0.59 . . . . 0.53 110.769 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 46.2 ttt-85 -105.35 123.35 47.71 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 108.74 -0.837 . . . . 3.26 108.74 172.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.629 HG11 ' HB3' ' A' ' 48' ' ' LEU . 7.6 m -124.23 154.03 30.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 120.963 0.411 . . . . 0.3 111.306 -177.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.85 115.68 30.26 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.987 -0.745 . . . . 0.16 108.987 177.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.606 ' HB3' HG23 ' A' ' 71' ' ' VAL . 42.3 p90 -134.95 165.08 26.16 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.784 0.661 . . . . 0.36 112.784 -170.092 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.473 ' HB3' ' HG2' ' A' ' 5' ' ' ARG . 87.9 p -127.26 135.66 50.91 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.082 -0.963 . . . . 1.08 109.256 174.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -135.99 152.54 51.04 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.332 -0.394 . . . . 0.41 110.33 -178.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -104.36 143.08 33.47 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.645 -0.502 . . . . 3.07 109.645 177.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.68 ' O ' ' HA3' ' A' ' 1' ' ' GLY . 7.9 mt -117.37 125.41 50.96 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.998 -0.546 . . . . 1.04 111.295 -176.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.532 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 28.4 m-20 -93.15 163.96 23.24 Favored Pre-proline 0 C--N 1.317 -0.836 0 N-CA-C 109.362 -0.607 . . . . 1.87 109.362 174.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.41 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 24.7 Cg_exo -64.09 -16.74 56.63 Favored 'Trans proline' 0 CA--C 1.528 0.197 0 C-N-CA 123.221 2.614 . . . . 1.62 113.245 -173.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -80.87 -12.23 59.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.919 0.39 . . . . 2.43 110.786 176.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.66 31.0 8.53 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 110.962 -0.855 . . . . 1.08 110.962 -174.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.532 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 22.6 mmt -85.13 110.75 19.2 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.831 -0.433 . . . . 2.74 109.831 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.18 98.43 11.29 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.526 -0.761 . . . . 0.54 109.559 -176.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.05 106.64 17.23 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.509 -0.769 . . . . 0.71 110.777 -173.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.528 ' HB2' ' HB3' ' A' ' 37' ' ' PHE . 2.9 tm? -68.21 128.04 35.12 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.417 -0.811 . . . . 1.18 109.27 -179.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.4 t -99.67 -57.07 4.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.169 0.509 . . . . 1.01 110.368 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.2 p -145.21 143.74 30.45 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.514 -0.766 . . . . 0.42 110.344 -177.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.606 HG23 ' HB3' ' A' ' 56' ' ' PHE . 7.7 p -138.4 128.0 33.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.115 0.483 . . . . 0.32 109.931 178.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.21 124.61 34.12 Favored Pre-proline 0 C--N 1.318 -0.764 0 CA-C-N 116.128 -0.487 . . . . 0.29 110.011 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.459 ' HA ' HG12 ' A' ' 54' ' ' VAL . 40.2 Cg_exo -57.52 109.43 0.47 Allowed 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.362 2.041 . . . . 0.81 111.053 175.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.446 ' HG2' ' HA ' ' A' ' 54' ' ' VAL . 17.4 pt20 -109.28 179.48 4.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.56 -0.745 . . . . 1.08 109.657 -178.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.565 ' O ' ' HG3' ' A' ' 76' ' ' GLN . 6.1 m -135.95 97.46 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 CA-C-N 115.736 -0.665 . . . . 1.64 109.474 -173.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.565 ' HG3' ' O ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER 47.9 -138.06 0.79 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.875 -0.602 . . . . 2.57 110.047 -174.497 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.465 ' H ' ' NE2' ' A' ' 76' ' ' GLN . 64.8 p -76.34 -12.02 60.0 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 118.6 0.636 . . . . 3.72 111.498 -179.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 63.59 -74.42 0.04 OUTLIER 'General case' 0 C--O 1.236 0.377 0 O-C-N 124.113 0.883 . . . . 3.65 112.036 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 126.48 -81.29 0.36 Allowed Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.954 -0.858 . . . . 5.36 110.954 -176.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.16 136.26 33.12 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.627 -0.508 . . . . 6.59 109.627 174.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.403 ' HD3' ' N ' ' A' ' 81' ' ' LYS . 3.7 mppt? -105.4 108.38 61.3 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 110.091 -0.337 . . . . 10.72 110.091 -177.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo . . . . . 0 N--CA 1.447 -1.215 0 C-N-CA 123.339 2.693 . . . . 11.77 112.08 179.89 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 111.344 -0.702 . . . . 1.67 111.344 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.493 ' HD2' ' O ' ' A' ' 60' ' ' LEU . 42.3 Cg_endo -64.24 117.67 4.68 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.882 2.388 . . . . 0.95 112.118 -178.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -89.51 114.85 26.44 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.264 -0.88 . . . . 1.13 110.102 -178.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.402 ' NE2' ' HB2' ' A' ' 2' ' ' PRO . 79.7 m-70 -118.43 145.88 44.88 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.424 -0.584 . . . . 0.55 109.424 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.424 ' HA ' ' HA ' ' A' ' 57' ' ' SER . 38.1 mtt180 -89.07 151.14 22.41 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.907 0.385 . . . . 2.51 110.93 177.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.454 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . . . -151.81 149.49 29.08 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.893 -0.594 . . . . 0.41 110.278 179.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.0 m -119.54 148.55 22.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 116.325 -0.398 . . . . 0.24 110.106 176.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.496 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . -174.51 -166.44 32.48 Favored Glycine 0 N--CA 1.442 -0.935 0 C-N-CA 120.484 -0.865 . . . . 0.28 112.222 178.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -124.17 135.14 53.26 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.858 -0.793 . . . . 3.19 108.858 -178.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.693 HD11 HG21 ' A' ' 54' ' ' VAL . 47.4 mm -67.04 129.57 31.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 120.816 0.341 . . . . 0.23 110.947 -173.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -90.03 -54.31 4.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.573 -0.74 . . . . 1.13 109.677 -178.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.6 m -162.67 147.34 11.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.75 110.32 177.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.774 HD11 ' HA ' ' A' ' 49' ' ' LYS . 80.9 mt -95.25 141.93 14.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.425 -0.352 . . . . 0.77 110.356 178.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -109.62 -142.6 9.64 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 111.541 -0.624 . . . . 1.06 111.541 175.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -122.91 -22.67 5.2 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.969 0.414 . . . . 2.51 110.72 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.453 ' HE ' ' HB2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -136.1 -7.58 2.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.213 -0.449 . . . . 3.93 110.396 178.859 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.546 ' CB ' ' HA ' ' A' ' 38' ' ' ALA . 13.5 m -155.3 177.38 11.42 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.988 -1.116 . . . . 0.94 107.988 173.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.494 ' HB3' ' HA ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -159.57 152.09 21.3 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.99 0.424 . . . . 1.03 110.806 176.866 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.508 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 14.5 mt -95.91 133.4 37.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.784 -0.643 . . . . 0.56 110.123 -174.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 79.0 mt -131.31 124.6 55.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.101 -0.5 . . . . 0.21 110.658 -178.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.649 ' HA ' ' HA ' ' A' ' 34' ' ' THR . . . -72.15 91.35 1.27 Allowed 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.279 -0.637 . . . . 0.22 109.279 170.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.496 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 29.9 p80 -91.18 154.35 19.38 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.148 -0.478 . . . . 0.27 111.241 -175.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -67.64 -171.24 0.18 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.152 -0.931 . . . . 3.05 110.939 174.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.73 -31.6 72.9 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.217 0.451 . . . . 1.5 112.217 -176.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 57.7 mt 67.3 95.31 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 121.124 0.488 . . . . 0.63 111.158 178.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -70.45 -14.72 34.19 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.417 2.078 . . . . 0.97 112.226 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 43.8 m -83.41 -11.62 57.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.727 -0.669 . . . . 1.1 111.384 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.21 -9.64 7.58 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.84 -0.344 . . . . 0.89 111.806 -178.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 60.69 40.6 16.13 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.316 0.579 . . . . 2.21 110.091 -175.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 32.7 m0 -101.52 176.17 5.32 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.325 -0.852 . . . . 1.02 111.348 -177.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -102.99 168.16 17.79 Favored Glycine 0 N--CA 1.438 -1.204 0 CA-C-N 115.137 -0.938 . . . . 1.67 111.375 172.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.17 114.07 17.81 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.737 -0.468 . . . . 0.57 109.737 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -158.37 147.91 19.51 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.077 -0.51 . . . . 0.84 111.274 -174.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.649 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 20.3 m -76.26 106.53 7.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.367 -0.833 . . . . 0.75 110.436 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 63.4 mtp -122.31 165.18 16.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.066 -0.516 . . . . 1.6 111.569 -178.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.508 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 40.0 tt0 -97.75 136.81 37.57 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.24 -0.891 . . . . 1.0 110.464 -179.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.45 ' HB3' ' HB2' ' A' ' 68' ' ' LEU . 97.0 m-85 -119.63 118.4 30.87 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.973 -0.558 . . . . 0.37 110.175 176.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.546 ' HA ' ' CB ' ' A' ' 17' ' ' SER . . . -67.78 137.01 55.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.481 -0.782 . . . . 0.34 110.384 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.429 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . . . -81.48 146.66 57.86 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.489 -0.323 . . . . 0.6 110.819 -177.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 39' ' ' ALA . 22.5 Cg_exo -64.89 150.53 88.0 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 122.345 2.03 . . . . 1.1 110.841 174.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -56.54 -16.41 18.64 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.869 2.379 . . . . 2.05 112.373 178.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.86 -30.69 70.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 1.33 111.14 176.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 109.23 -179.42 20.98 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.91 -0.662 . . . . 0.93 112.091 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -99.47 146.31 31.57 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-O 120.776 0.322 . . . . 0.97 111.535 -178.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.681 ' HD2' HD21 ' A' ' 48' ' ' LEU . 61.3 Cg_endo -85.73 -164.26 0.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 123.368 2.712 . . . . 0.69 111.769 170.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.651 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -117.04 150.47 38.59 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.47 -0.787 . . . . 2.12 110.291 -179.252 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.93 17.02 19.93 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.918 -0.583 . . . . 0.63 112.088 178.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.815 HD23 HG11 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -127.67 49.27 2.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.645 0.26 . . . . 1.06 111.549 -177.656 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.774 ' HA ' HD11 ' A' ' 13' ' ' ILE . 5.1 ptpp? -95.36 167.31 11.42 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.711 -0.396 . . . . 3.0 110.282 -174.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.02 110.53 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.819 -0.628 . . . . 0.37 111.182 178.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.93 -23.56 9.94 Favored Glycine 0 N--CA 1.441 -1.006 0 C-N-CA 120.741 -0.743 . . . . 0.38 112.686 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.429 ' OD2' ' HG2' ' A' ' 49' ' ' LYS . 12.4 m-20 -71.09 146.64 49.13 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.38 0.61 . . . . 0.53 110.592 -179.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.06 119.29 38.58 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 107.959 -1.126 . . . . 3.26 107.959 175.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.731 ' HA ' ' H ' ' A' ' 74' ' ' GLN . 15.4 m -128.93 156.43 41.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.159 0.504 . . . . 0.3 111.647 -172.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -115.83 121.22 41.76 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.601 -0.888 . . . . 0.16 108.601 174.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.767 ' HB3' HG23 ' A' ' 71' ' ' VAL . 33.7 p90 -134.58 173.02 12.12 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.339 0.59 . . . . 0.36 112.316 -169.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' A' ' 5' ' ' ARG . 20.6 p -134.1 141.25 47.08 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.456 -0.793 . . . . 1.08 109.584 175.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.445 ' HA ' HG23 ' A' ' 69' ' ' VAL . 40.5 p90 -138.95 164.3 30.08 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.187 -0.301 . . . . 0.41 110.187 -178.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.479 ' HG3' ' CG2' ' A' ' 69' ' ' VAL . 21.4 mtm180 -117.15 140.94 48.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.814 0.34 . . . . 3.07 110.316 177.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.493 ' O ' ' HD2' ' A' ' 2' ' ' PRO . 15.6 mt -90.06 122.88 33.45 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.725 -0.67 . . . . 1.04 109.975 173.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.431 ' HB3' ' CD ' ' A' ' 62' ' ' PRO . 28.3 m-20 -86.32 166.42 28.33 Favored Pre-proline 0 C--N 1.316 -0.861 0 N-CA-C 109.23 -0.656 . . . . 1.87 109.23 177.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.431 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 15.7 Cg_exo -69.29 1.21 4.32 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 123.008 2.472 . . . . 1.62 113.241 -173.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.9 m170 -104.44 -6.84 20.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.368 0.604 . . . . 2.43 110.265 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.6 27.95 15.82 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.155 -0.93 . . . . 1.08 111.342 -178.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 95.7 mmm -99.57 153.42 19.06 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.56 -0.32 . . . . 2.74 110.29 -178.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.72 98.28 6.43 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.467 0.651 . . . . 0.54 109.561 -173.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.538 HG23 ' HB3' ' A' ' 38' ' ' ALA . 4.0 m -105.77 126.59 52.34 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.488 -0.778 . . . . 0.71 110.117 -176.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.48 HD11 ' HB2' ' A' ' 56' ' ' PHE . 36.8 tp -71.76 145.24 48.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.623 -0.717 . . . . 1.18 110.969 -173.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.479 ' CG2' ' HG3' ' A' ' 59' ' ' ARG . 46.7 t -106.88 -63.96 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.984 -0.553 . . . . 1.01 109.704 176.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.9 p -143.64 153.13 42.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.185 -0.461 . . . . 0.42 110.596 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.815 HG11 HD23 ' A' ' 48' ' ' LEU . 10.4 p -136.28 140.83 42.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.464 -0.569 . . . . 0.32 109.464 177.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -130.83 141.75 43.08 Favored Pre-proline 0 C--N 1.319 -0.718 0 N-CA-C 109.989 -0.375 . . . . 0.29 109.989 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -61.42 110.53 0.93 Allowed 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.545 2.163 . . . . 0.81 112.55 -178.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.731 ' H ' ' HA ' ' A' ' 54' ' ' VAL . 1.6 tt0 -77.31 174.06 11.21 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 115.537 -0.756 . . . . 1.08 109.225 174.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.8 m -143.31 73.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 112.914 0.709 . . . . 1.64 112.914 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.455 ' HG3' ' N ' ' A' ' 77' ' ' THR . 6.0 pt20 -122.55 -35.73 3.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.958 0.885 . . . . 2.57 109.829 166.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.455 ' N ' ' HG3' ' A' ' 76' ' ' GLN . 0.2 OUTLIER -136.79 20.51 3.06 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.492 -1.231 . . . . 3.72 109.364 177.635 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.95 164.42 11.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.494 -0.776 . . . . 3.65 110.156 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.17 100.93 0.9 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.944 -0.646 . . . . 5.36 112.716 -177.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -171.46 18.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 6.59 111.171 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.453 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 38.1 ttmt -103.6 121.04 49.69 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 120.788 0.327 . . . . 10.72 110.316 178.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 81' ' ' LYS . 1.8 Cg_endo . . . . . 0 C--O 1.249 1.072 0 C-N-CA 123.171 2.581 . . . . 11.77 111.413 175.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.605 ' HA3' ' O ' ' A' ' 60' ' ' LEU . . . . . . . . 0 N--CA 1.484 1.855 0 CA-C-O 119.917 -0.38 . . . . 1.67 112.265 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -61.03 138.63 79.75 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 123.034 2.489 . . . . 0.95 112.616 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -89.31 136.72 32.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.728 -0.669 . . . . 1.13 110.718 -178.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.457 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 90.4 m-70 -130.48 154.93 47.26 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.536 -0.542 . . . . 0.55 109.536 177.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.627 ' HD3' ' HB3' ' A' ' 57' ' ' SER . 26.5 mmt180 -91.51 146.89 23.42 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.701 -0.111 . . . . 2.51 110.701 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -157.03 134.15 10.39 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.32 0.581 . . . . 0.41 112.029 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.489 ' HB ' HE22 ' A' ' 74' ' ' GLN . 18.6 m -120.47 148.54 23.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.706 -0.679 . . . . 0.24 109.572 174.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.814 ' HA3' ' HA ' ' A' ' 22' ' ' HIS . . . 177.92 -171.73 44.27 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.06 -1.067 . . . . 0.28 113.042 -179.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.496 ' HA ' ' HA ' ' A' ' 53' ' ' ARG . 40.7 ttp-105 -111.84 134.01 53.68 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.792 0.329 . . . . 3.19 110.427 -177.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.469 HD11 ' CG2' ' A' ' 54' ' ' VAL . 29.2 mm -72.66 134.18 30.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.985 -0.552 . . . . 0.23 111.014 -176.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.602 HE21 ' HB2' ' A' ' 21' ' ' ALA . 84.1 mm-40 -91.15 -53.23 4.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.5 -0.318 . . . . 1.13 110.463 176.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.588 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 67.2 m -165.4 131.66 2.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.43 . . . . 0.75 109.885 -178.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.882 ' HA ' ' HB3' ' A' ' 18' ' ' LEU . 66.5 mt -95.11 124.55 47.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.144 0.497 . . . . 0.77 110.824 177.132 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -96.86 -159.72 31.64 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.24 -0.891 . . . . 1.06 111.571 178.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -79.74 -40.67 28.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.106 0.479 . . . . 2.51 110.311 -178.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -138.68 9.08 2.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.875 -0.602 . . . . 3.93 111.662 -178.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.0 p -155.74 146.7 22.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.263 -0.426 . . . . 0.94 110.515 177.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.882 ' HB3' ' HA ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -142.3 145.2 33.73 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.964 0.412 . . . . 1.03 110.902 179.492 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.704 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 12.3 mt -91.28 128.52 42.99 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.044 0 N-CA-C 109.124 -0.695 . . . . 0.56 109.124 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 57.8 mt -128.11 124.81 63.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-O 120.925 0.393 . . . . 0.21 110.614 -178.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.602 ' HB2' HE21 ' A' ' 11' ' ' GLN . . . -84.18 89.61 7.35 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.759 -0.83 . . . . 0.22 108.759 173.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.814 ' HA ' ' HA3' ' A' ' 8' ' ' GLY . 28.2 p80 -90.44 153.66 20.23 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.653 -0.703 . . . . 0.27 110.798 -176.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -68.77 -166.24 0.07 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.313 -0.858 . . . . 3.05 110.828 176.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.532 ' HA ' ' N ' ' A' ' 32' ' ' ALA . . . -52.06 -50.91 60.58 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.271 0.841 . . . . 1.5 113.271 -172.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.516 HG23 ' O ' ' A' ' 5' ' ' ARG . 24.6 mt 75.48 91.76 0.05 OUTLIER Pre-proline 0 C--N 1.321 -0.64 0 O-C-N 123.59 0.556 . . . . 0.63 110.583 -174.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -76.33 -0.49 10.44 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.354 2.036 . . . . 0.97 112.114 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.457 ' HB2' ' HB3' ' A' ' 4' ' ' HIS . 15.6 m -88.2 -20.89 24.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.919 -0.582 . . . . 1.1 110.747 177.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.66 -2.2 8.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.545 -0.298 . . . . 0.89 111.696 -176.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 66.1 25.51 10.79 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.512 0.507 . . . . 2.21 111.316 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 49.2 m0 -83.85 172.19 12.38 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.785 -0.45 . . . . 1.02 109.785 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.42 44.58 1.22 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.681 -0.771 . . . . 1.67 113.11 -176.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.532 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . 70.65 125.21 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.128 0.571 . . . . 0.57 111.699 177.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 22.4 ptp -168.13 145.47 4.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.984 -0.553 . . . . 0.84 110.878 -176.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.56 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 23.9 m -85.57 106.09 16.63 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.498 -0.774 . . . . 0.75 109.674 178.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 29.4 ttm -129.91 149.29 51.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.353 -0.385 . . . . 1.6 111.087 -175.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.704 ' HA ' ' HA ' ' A' ' 19' ' ' ILE . 44.2 tt0 -85.43 135.51 33.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.208 178.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -114.72 142.16 46.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.012 -0.54 . . . . 0.37 110.079 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.535 ' HB3' HG23 ' A' ' 67' ' ' THR . . . -84.01 132.55 34.73 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.198 -0.455 . . . . 0.34 109.971 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.6 147.57 33.43 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 116.037 -0.529 . . . . 0.6 111.035 -177.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 23.1 Cg_endo -62.09 148.9 92.3 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.609 2.206 . . . . 1.1 111.3 172.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 40' ' ' PRO . 40.3 Cg_exo -57.66 -15.88 22.44 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.263 2.642 . . . . 2.05 113.243 -178.17 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.55 -25.11 63.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.45 -0.341 . . . . 1.33 111.14 177.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.96 170.77 38.49 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.96 -0.638 . . . . 0.93 112.449 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.445 HD22 ' N ' ' A' ' 44' ' ' LEU . 2.1 mm? -97.39 152.94 38.51 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 110.155 -0.313 . . . . 0.97 110.155 -178.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.433 ' HD2' HD11 ' A' ' 48' ' ' LEU . 1.7 Cg_endo -82.23 -165.95 0.36 Allowed 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 122.909 2.406 . . . . 0.69 111.115 171.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.54 176.0 5.31 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.468 -0.567 . . . . 2.12 109.468 175.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.8 6.25 85.54 Favored Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.336 -0.935 . . . . 0.63 110.928 -176.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.654 HD22 HG13 ' A' ' 71' ' ' VAL . 1.5 pp -147.4 40.26 1.02 Allowed 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 114.679 -0.76 . . . . 1.06 110.01 -178.001 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.401 ' H ' ' HG3' ' A' ' 49' ' ' LYS . 1.5 pptp? -96.94 -175.51 3.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.545 -0.752 . . . . 3.0 111.38 -171.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.588 ' HB2' ' HA ' ' A' ' 12' ' ' SER . . . -48.17 113.04 0.66 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.31 -0.405 . . . . 0.37 111.952 179.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.61 -23.82 11.73 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.143 -0.551 . . . . 0.38 112.152 -178.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -77.46 148.75 35.23 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 121.091 0.472 . . . . 0.53 111.039 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.801 ' HD3' ' HA ' ' A' ' 76' ' ' GLN . 76.7 ttt180 -111.95 114.48 27.41 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.643 -0.873 . . . . 3.26 108.643 173.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.686 HG12 ' HA ' ' A' ' 73' ' ' PRO . 11.8 m -125.76 167.65 19.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.253 -0.43 . . . . 0.3 111.654 -169.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.425 ' HA ' HG12 ' A' ' 7' ' ' VAL . . . -114.45 123.9 50.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.658 -0.701 . . . . 0.16 109.812 177.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.664 ' HB3' HG23 ' A' ' 71' ' ' VAL . 20.5 p90 -141.74 -176.53 4.8 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.298 0.57 . . . . 0.36 111.517 -174.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.627 ' HB3' ' HD3' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -133.98 -178.22 4.93 Favored 'General case' 0 N--CA 1.438 -1.058 0 N-CA-C 108.484 -0.932 . . . . 1.08 108.484 168.757 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -166.21 162.32 17.42 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 110.141 -0.318 . . . . 0.41 110.141 178.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.403 ' HG3' HG11 ' A' ' 69' ' ' VAL . 77.2 mtm180 -119.82 137.74 53.8 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.231 -0.44 . . . . 3.07 110.13 177.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.605 ' O ' ' HA3' ' A' ' 1' ' ' GLY . 17.9 mt -95.87 125.12 40.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.858 -0.61 . . . . 1.04 110.736 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.75 ' HB2' ' HB2' ' A' ' 65' ' ' MET . 5.6 m-20 -89.44 166.39 21.51 Favored Pre-proline 0 C--N 1.32 -0.681 0 N-CA-C 109.28 -0.637 . . . . 1.87 109.28 175.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.469 ' CD ' ' HB3' ' A' ' 61' ' ' ASP . 17.7 Cg_exo -67.13 -2.73 8.52 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 123.265 2.643 . . . . 1.62 113.459 -172.01 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -102.08 1.46 36.37 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.063 0.459 . . . . 2.43 110.7 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.45 24.21 44.17 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 110.842 -0.903 . . . . 1.08 110.842 -175.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.75 ' HB2' ' HB2' ' A' ' 61' ' ' ASP . 91.4 mmm -81.45 132.58 35.33 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 115.27 -0.465 . . . . 2.74 110.247 -177.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.76 98.27 7.98 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 109.008 -0.738 . . . . 0.54 109.008 -177.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.535 HG23 ' HB3' ' A' ' 38' ' ' ALA . 1.2 m -105.66 119.81 40.08 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 115.907 -0.588 . . . . 0.71 110.658 -174.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.9 tp -67.46 141.44 56.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.321 -0.854 . . . . 1.18 109.882 -177.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.741 HG23 ' H ' ' A' ' 70' ' ' THR . 9.1 m -109.57 -64.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.752 0.311 . . . . 1.01 111.337 -178.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.741 ' H ' HG23 ' A' ' 69' ' ' VAL . 31.7 p -142.69 142.86 32.1 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.037 -0.727 . . . . 0.42 109.037 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.664 HG23 ' HB3' ' A' ' 56' ' ' PHE . 10.7 p -136.19 138.55 46.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.022 0.439 . . . . 0.32 110.705 178.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -127.7 142.33 43.86 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.628 -0.714 . . . . 0.29 109.933 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.686 ' HA ' HG12 ' A' ' 54' ' ' VAL . 30.0 Cg_endo -64.0 127.38 19.27 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.477 2.118 . . . . 0.81 111.902 179.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.489 HE22 ' HB ' ' A' ' 7' ' ' VAL . 9.3 pt20 -129.14 178.25 6.56 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.403 -0.592 . . . . 1.08 109.403 178.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.8 m -130.23 100.33 4.98 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 N-CA-C 108.898 -0.779 . . . . 1.64 108.898 -177.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.801 ' HA ' ' HD3' ' A' ' 53' ' ' ARG . 14.9 pt20 47.21 -110.23 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.806 -1.088 . . . . 2.57 112.352 -176.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.584 ' H ' ' HG3' ' A' ' 76' ' ' GLN . 30.8 m -96.6 91.24 5.65 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-O 121.618 0.723 . . . . 3.72 110.797 178.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.28 -26.61 32.98 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.225 -0.898 . . . . 3.65 110.533 175.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -160.69 -111.0 0.27 Allowed Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 111.439 -0.664 . . . . 5.36 111.439 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 70.77 -58.18 0.57 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.566 0.746 . . . . 6.59 112.34 176.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 10.7 mtpm? -103.49 108.79 60.41 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-O 120.749 0.309 . . . . 10.72 111.355 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 81' ' ' LYS . 1.7 Cg_endo . . . . . 0 C--O 1.251 1.158 0 C-N-CA 122.998 2.465 . . . . 11.77 111.08 174.199 . . . . . . . . 1 1 . 1 stop_ save_